---
_id: '63890'
abstract:
- lang: eng
  text: The computation of highly contracted electron repulsion integrals (ERIs) is
    essential to achieve quantum accuracy in atomistic simulations based on quantum
    mechanics. Its growing computational demands make energy efficiency a critical
    concern. Recent studies demonstrate FPGAs’ superior performance and energy efficiency
    for computing primitive ERIs, but the computation of highly contracted ERIs introduces
    significant algorithmic complexity and new design challenges for FPGA acceleration.In
    this work, we present SORCERI, the first streaming overlay acceleration for highly
    contracted ERI computations on FPGAs. SORCERI introduces a novel streaming Rys
    computing unit to calculate roots and weights of Rys polynomials on-chip, and
    a streaming contraction unit for the contraction of primitive ERIs. This shifts
    the design bottleneck from limited CPU-FPGA communication bandwidth to available
    FPGA computation resources. To address practical deployment challenges for a large
    number of quartet classes, we design three streaming overlays, together with an
    efficient memory transpose optimization, to cover the 21 most commonly used quartet
    classes in realistic atomistic simulations. To address the new computation constraints,
    we use flexible calculation stages with a free-running streaming architecture
    to achieve high DSP utilization and good timing closure.Experiments demonstrate
    that SORCERI achieves an average 5.96x, 1.99x, and 1.16x better performance per
    watt than libint on a 64-core AMD EPYC 7713 CPU, libintx on an Nvidia A40 GPU,
    and SERI, the prior best-performing FPGA design for primitive ERIs. Furthermore,
    SORCERI reaches a peak throughput of 44.11 GERIS (109 ERIs per second) that is
    1.52x, 1.13x, and 1.93x greater than libint, libintx and SERI, respectively. SORCERI
    will be released soon at https://github.com/SFU-HiAccel/SORCERI.
author:
- first_name: Philip
  full_name: Stachura, Philip
  last_name: Stachura
- first_name: Xin
  full_name: Wu, Xin
  id: '77439'
  last_name: Wu
- first_name: Christian
  full_name: Plessl, Christian
  id: '16153'
  last_name: Plessl
  orcid: 0000-0001-5728-9982
- first_name: Zhenman
  full_name: Fang, Zhenman
  last_name: Fang
citation:
  ama: 'Stachura P, Wu X, Plessl C, Fang Z. SORCERI: Streaming Overlay Acceleration
    for Highly Contracted Electron Repulsion Integral Computations in Quantum Chemistry.
    In: <i>Proceedings of the 2026 ACM/SIGDA International Symposium on Field Programmable
    Gate Arrays (FPGA ’26)</i>. Association for Computing Machinery; 2026:224-234.
    doi:<a href="https://doi.org/10.1145/3748173.3779198">10.1145/3748173.3779198</a>'
  apa: 'Stachura, P., Wu, X., Plessl, C., &#38; Fang, Z. (2026). SORCERI: Streaming
    Overlay Acceleration for Highly Contracted Electron Repulsion Integral Computations
    in Quantum Chemistry. <i>Proceedings of the 2026 ACM/SIGDA International Symposium
    on Field Programmable Gate Arrays (FPGA ’26)</i>, 224–234. <a href="https://doi.org/10.1145/3748173.3779198">https://doi.org/10.1145/3748173.3779198</a>'
  bibtex: '@inproceedings{Stachura_Wu_Plessl_Fang_2026, place={New York, NY, USA},
    title={SORCERI: Streaming Overlay Acceleration for Highly Contracted Electron
    Repulsion Integral Computations in Quantum Chemistry}, DOI={<a href="https://doi.org/10.1145/3748173.3779198">10.1145/3748173.3779198</a>},
    booktitle={Proceedings of the 2026 ACM/SIGDA International Symposium on Field
    Programmable Gate Arrays (FPGA ’26)}, publisher={Association for Computing Machinery},
    author={Stachura, Philip and Wu, Xin and Plessl, Christian and Fang, Zhenman},
    year={2026}, pages={224–234} }'
  chicago: 'Stachura, Philip, Xin Wu, Christian Plessl, and Zhenman Fang. “SORCERI:
    Streaming Overlay Acceleration for Highly Contracted Electron Repulsion Integral
    Computations in Quantum Chemistry.” In <i>Proceedings of the 2026 ACM/SIGDA International
    Symposium on Field Programmable Gate Arrays (FPGA ’26)</i>, 224–34. New York,
    NY, USA: Association for Computing Machinery, 2026. <a href="https://doi.org/10.1145/3748173.3779198">https://doi.org/10.1145/3748173.3779198</a>.'
  ieee: 'P. Stachura, X. Wu, C. Plessl, and Z. Fang, “SORCERI: Streaming Overlay Acceleration
    for Highly Contracted Electron Repulsion Integral Computations in Quantum Chemistry,”
    in <i>Proceedings of the 2026 ACM/SIGDA International Symposium on Field Programmable
    Gate Arrays (FPGA ’26)</i>, 2026, pp. 224–234, doi: <a href="https://doi.org/10.1145/3748173.3779198">10.1145/3748173.3779198</a>.'
  mla: 'Stachura, Philip, et al. “SORCERI: Streaming Overlay Acceleration for Highly
    Contracted Electron Repulsion Integral Computations in Quantum Chemistry.” <i>Proceedings
    of the 2026 ACM/SIGDA International Symposium on Field Programmable Gate Arrays
    (FPGA ’26)</i>, Association for Computing Machinery, 2026, pp. 224–34, doi:<a
    href="https://doi.org/10.1145/3748173.3779198">10.1145/3748173.3779198</a>.'
  short: 'P. Stachura, X. Wu, C. Plessl, Z. Fang, in: Proceedings of the 2026 ACM/SIGDA
    International Symposium on Field Programmable Gate Arrays (FPGA ’26), Association
    for Computing Machinery, New York, NY, USA, 2026, pp. 224–234.'
date_created: 2026-02-06T06:43:22Z
date_updated: 2026-02-09T09:16:32Z
department:
- _id: '27'
- _id: '518'
doi: 10.1145/3748173.3779198
keyword:
- electron repulsion integrals
- quantum chemistry
- atomistic simulation
- overlay architecture
- fpga acceleration
language:
- iso: eng
main_file_link:
- url: https://dl.acm.org/doi/10.1145/3748173.3779198
page: 224-234
place: New York, NY, USA
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Proceedings of the 2026 ACM/SIGDA International Symposium on Field Programmable
  Gate Arrays (FPGA '26)
publication_identifier:
  isbn:
  - '9798400720796'
publication_status: published
publisher: Association for Computing Machinery
status: public
title: 'SORCERI: Streaming Overlay Acceleration for Highly Contracted Electron Repulsion
  Integral Computations in Quantum Chemistry'
type: conference
user_id: '77439'
year: '2026'
...
---
_id: '59510'
abstract:
- lang: eng
  text: <jats:p>The use of organo-catalysis in continuous-flow reactor systems is
    gaining attention in medicinal chemistry due to its cost-effectiveness and reduced
    chemical waste. In this study, bioactive curcumin (CUM) derivatives were synthesized
    in a continuously operated microfluidic reactor (MFR), using piperidine-based
    polymeric networks as catalysts. Piperidine methacrylate and piperidine acrylate
    were synthesized and subsequently copolymerized with complementary monomers (MMA
    or DMAA) and crosslinkers (EGDMA or MBAM) via photopolymerization, yielding different
    polymeric networks. Initially, batch reactions were optimized for the organo-catalytic
    Knoevenagel condensation between CUM and 4-nitrobenzaldehyde, under various conditions,
    in the presence of polymer networks. Conversion was assessed using offline 1H
    NMR spectroscopy, revealing an increase in conversion with enhanced swelling properties
    of the polymer networks, which facilitated greater accessibility of catalytic
    sites. In continuous-flow MFR experiments, optimized polymer gel dots exhibited
    superior catalytic performance, achieving a conversion of up to 72%, compared
    to other compositions. This improvement was attributed to the enhanced swelling
    in the reaction mixture (DMSO/methanol, 7:3 v/v) at 40 °C over 72 h. Furthermore,
    the MFR system enabled the efficient synthesis of a series of CUM derivatives,
    demonstrating significantly higher conversion rates than traditional batch reactions.
    Notably, while batch reactions required 90% catalyst loading in the gel, the MFR
    system achieved a comparable or superior performance with only 50% catalyst, resulting
    in a higher turnover number. These findings underscore the advantages of continuous-flow
    organo-catalysis in enhancing catalytic efficiency and sustainability in organic
    synthesis.</jats:p>
article_number: '278'
author:
- first_name: Naresh
  full_name: Killi, Naresh
  last_name: Killi
- first_name: Katja
  full_name: Rumpke, Katja
  last_name: Rumpke
- first_name: Dirk
  full_name: Kuckling, Dirk
  id: '287'
  last_name: Kuckling
citation:
  ama: Killi N, Rumpke K, Kuckling D. Synthesis of Curcumin Derivatives via Knoevenagel
    Reaction Within a Continuously Driven Microfluidic Reactor Using Polymeric Networks
    Containing Piperidine as a Catalyst. <i>Gels</i>. 2025;11(4). doi:<a href="https://doi.org/10.3390/gels11040278">10.3390/gels11040278</a>
  apa: Killi, N., Rumpke, K., &#38; Kuckling, D. (2025). Synthesis of Curcumin Derivatives
    via Knoevenagel Reaction Within a Continuously Driven Microfluidic Reactor Using
    Polymeric Networks Containing Piperidine as a Catalyst. <i>Gels</i>, <i>11</i>(4),
    Article 278. <a href="https://doi.org/10.3390/gels11040278">https://doi.org/10.3390/gels11040278</a>
  bibtex: '@article{Killi_Rumpke_Kuckling_2025, title={Synthesis of Curcumin Derivatives
    via Knoevenagel Reaction Within a Continuously Driven Microfluidic Reactor Using
    Polymeric Networks Containing Piperidine as a Catalyst}, volume={11}, DOI={<a
    href="https://doi.org/10.3390/gels11040278">10.3390/gels11040278</a>}, number={4278},
    journal={Gels}, publisher={MDPI AG}, author={Killi, Naresh and Rumpke, Katja and
    Kuckling, Dirk}, year={2025} }'
  chicago: Killi, Naresh, Katja Rumpke, and Dirk Kuckling. “Synthesis of Curcumin
    Derivatives via Knoevenagel Reaction Within a Continuously Driven Microfluidic
    Reactor Using Polymeric Networks Containing Piperidine as a Catalyst.” <i>Gels</i>
    11, no. 4 (2025). <a href="https://doi.org/10.3390/gels11040278">https://doi.org/10.3390/gels11040278</a>.
  ieee: 'N. Killi, K. Rumpke, and D. Kuckling, “Synthesis of Curcumin Derivatives
    via Knoevenagel Reaction Within a Continuously Driven Microfluidic Reactor Using
    Polymeric Networks Containing Piperidine as a Catalyst,” <i>Gels</i>, vol. 11,
    no. 4, Art. no. 278, 2025, doi: <a href="https://doi.org/10.3390/gels11040278">10.3390/gels11040278</a>.'
  mla: Killi, Naresh, et al. “Synthesis of Curcumin Derivatives via Knoevenagel Reaction
    Within a Continuously Driven Microfluidic Reactor Using Polymeric Networks Containing
    Piperidine as a Catalyst.” <i>Gels</i>, vol. 11, no. 4, 278, MDPI AG, 2025, doi:<a
    href="https://doi.org/10.3390/gels11040278">10.3390/gels11040278</a>.
  short: N. Killi, K. Rumpke, D. Kuckling, Gels 11 (2025).
date_created: 2025-04-11T07:12:02Z
date_updated: 2025-04-11T07:13:26Z
department:
- _id: '163'
doi: 10.3390/gels11040278
intvolume: '        11'
issue: '4'
keyword:
- flow chemistry
- heterogeneous catalysis
- sustainable synthesis
- organo-catalysis
- polymeric gel dots
language:
- iso: eng
main_file_link:
- url: https://www.mdpi.com/2310-2861/11/4/278
publication: Gels
publication_identifier:
  issn:
  - 2310-2861
publication_status: published
publisher: MDPI AG
status: public
title: Synthesis of Curcumin Derivatives via Knoevenagel Reaction Within a Continuously
  Driven Microfluidic Reactor Using Polymeric Networks Containing Piperidine as a
  Catalyst
type: journal_article
user_id: '94'
volume: 11
year: '2025'
...
---
_id: '62920'
author:
- first_name: Marvin Lee
  full_name: Fox, Marvin Lee
  id: '80773'
  last_name: Fox
- first_name: Hendrik
  full_name: Peeters, Hendrik
  id: '49942'
  last_name: Peeters
  orcid: https://orcid.org/ 0000-0002-7143-3781
- first_name: Sabine
  full_name: Fechner, Sabine
  id: '54823'
  last_name: Fechner
  orcid: 0000-0001-5645-5870
citation:
  ama: 'Fox ML, Peeters H, Fechner S. KI-Einsatz durch Lernende im Erkenntnisgewinnungsprozess
    - ein Review. In: <i>GDCP Jahrestagung</i>. ; 2025.'
  apa: Fox, M. L., Peeters, H., &#38; Fechner, S. (2025). KI-Einsatz durch Lernende
    im Erkenntnisgewinnungsprozess - ein Review. <i>GDCP Jahrestagung</i>. GDCP Jahrestagung,
    Frankfurt.
  bibtex: '@inproceedings{Fox_Peeters_Fechner_2025, title={KI-Einsatz durch Lernende
    im Erkenntnisgewinnungsprozess - ein Review}, booktitle={GDCP Jahrestagung}, author={Fox,
    Marvin Lee and Peeters, Hendrik and Fechner, Sabine}, year={2025} }'
  chicago: Fox, Marvin Lee, Hendrik Peeters, and Sabine Fechner. “KI-Einsatz Durch
    Lernende Im Erkenntnisgewinnungsprozess - Ein Review.” In <i>GDCP Jahrestagung</i>,
    2025.
  ieee: M. L. Fox, H. Peeters, and S. Fechner, “KI-Einsatz durch Lernende im Erkenntnisgewinnungsprozess
    - ein Review,” presented at the GDCP Jahrestagung, Frankfurt, 2025.
  mla: Fox, Marvin Lee, et al. “KI-Einsatz Durch Lernende Im Erkenntnisgewinnungsprozess
    - Ein Review.” <i>GDCP Jahrestagung</i>, 2025.
  short: 'M.L. Fox, H. Peeters, S. Fechner, in: GDCP Jahrestagung, 2025.'
conference:
  end_date: 2025-09-11
  location: Frankfurt
  name: GDCP Jahrestagung
  start_date: 2025-09-08
date_created: 2025-12-05T12:53:09Z
date_updated: 2025-12-05T13:05:59Z
department:
- _id: '386'
- _id: '33'
keyword:
- Artificial intelligence
- education
- chemistry
language:
- iso: eng
publication: GDCP Jahrestagung
status: public
title: KI-Einsatz durch Lernende im Erkenntnisgewinnungsprozess - ein Review
type: conference_abstract
user_id: '54823'
year: '2025'
...
---
_id: '62921'
author:
- first_name: Marvin Lee
  full_name: Fox, Marvin Lee
  id: '80773'
  last_name: Fox
- first_name: Hendrik
  full_name: Peeters, Hendrik
  id: '49942'
  last_name: Peeters
  orcid: https://orcid.org/ 0000-0002-7143-3781
- first_name: Sabine
  full_name: Fechner, Sabine
  id: '54823'
  last_name: Fechner
  orcid: 0000-0001-5645-5870
citation:
  ama: 'Fox ML, Peeters H, Fechner S. How can students be supported by ChatGPT as
    a tutor in hands-on chemistry education? In: <i>Conference of The European Science
    Education Research Association (ESERA)</i>. ; 2025.'
  apa: Fox, M. L., Peeters, H., &#38; Fechner, S. (2025). How can students be supported
    by ChatGPT as a tutor in hands-on chemistry education? <i>Conference of The European
    Science Education Research Association (ESERA)</i>. ESERA conference, Copenhagen,
    Denmark.
  bibtex: '@inproceedings{Fox_Peeters_Fechner_2025, title={How can students be supported
    by ChatGPT as a tutor in hands-on chemistry education?}, booktitle={Conference
    of The European Science Education Research Association (ESERA)}, author={Fox,
    Marvin Lee and Peeters, Hendrik and Fechner, Sabine}, year={2025} }'
  chicago: Fox, Marvin Lee, Hendrik Peeters, and Sabine Fechner. “How Can Students
    Be Supported by ChatGPT as a Tutor in Hands-on Chemistry Education?” In <i>Conference
    of The European Science Education Research Association (ESERA)</i>, 2025.
  ieee: M. L. Fox, H. Peeters, and S. Fechner, “How can students be supported by ChatGPT
    as a tutor in hands-on chemistry education?,” presented at the ESERA conference,
    Copenhagen, Denmark, 2025.
  mla: Fox, Marvin Lee, et al. “How Can Students Be Supported by ChatGPT as a Tutor
    in Hands-on Chemistry Education?” <i>Conference of The European Science Education
    Research Association (ESERA)</i>, 2025.
  short: 'M.L. Fox, H. Peeters, S. Fechner, in: Conference of The European Science
    Education Research Association (ESERA), 2025.'
conference:
  end_date: 2025-09-29
  location: Copenhagen, Denmark
  name: ESERA conference
  start_date: 2025-09-25
date_created: 2025-12-05T12:57:51Z
date_updated: 2025-12-13T23:54:59Z
department:
- _id: '386'
- _id: '33'
keyword:
- Artificial intelligence
- education
- chemistry
language:
- iso: eng
publication: Conference of The European Science Education Research Association (ESERA)
quality_controlled: '1'
status: public
title: How can students be supported by ChatGPT as a tutor in hands-on chemistry education?
type: conference_abstract
user_id: '54823'
year: '2025'
...
---
_id: '51121'
abstract:
- lang: eng
  text: <jats:p>DNA origami nanostructures are a powerful tool in biomedicine and
    can be used to combat drug‐resistant bacterial infections. However, the effect
    of unmodified DNA origami nanostructures on bacteria is yet to be elucidated.
    With the aim to obtain a better understanding of this phenomenon, the effect of
    three DNA origami shapes, i.e., DNA origami triangles, six‐helix bundles (6HBs),
    and 24‐helix bundles (24HBs), on the growth of Gram‐negative Escherichia coli
    and Gram‐positive Bacillus subtilis is investigated. These results reveal that
    while triangles and 24HBs can be used as a source of nutrients by E. coli and
    thereby promote population growth, their effect is much smaller than that of genomic
    single‐ and double‐stranded DNA. However, no effect on E. coli population growth
    is observed for the 6HBs. On the other hand, B. subtilis does not show any significant
    changes in population growth when cultured with the different DNA origami shapes
    or genomic DNA. The detailed effect of DNA origami nanostructures on bacterial
    growth thus depends on the competence signals and uptake mechanism of each bacterial
    species, as well as the DNA origami shape. This should be considered in the development
    of antimicrobial DNA origami nanostructures.</jats:p>
author:
- first_name: Jaime Andres
  full_name: Garcia-Diosa, Jaime Andres
  last_name: Garcia-Diosa
- first_name: Guido
  full_name: Grundmeier, Guido
  id: '194'
  last_name: Grundmeier
- first_name: Adrian
  full_name: Keller, Adrian
  id: '48864'
  last_name: Keller
  orcid: 0000-0001-7139-3110
citation:
  ama: Garcia-Diosa JA, Grundmeier G, Keller A. Effect of DNA Origami Nanostructures
    on Bacterial Growth. <i>ChemBioChem</i>. Published online 2024. doi:<a href="https://doi.org/10.1002/cbic.202400091">10.1002/cbic.202400091</a>
  apa: Garcia-Diosa, J. A., Grundmeier, G., &#38; Keller, A. (2024). Effect of DNA
    Origami Nanostructures on Bacterial Growth. <i>ChemBioChem</i>. <a href="https://doi.org/10.1002/cbic.202400091">https://doi.org/10.1002/cbic.202400091</a>
  bibtex: '@article{Garcia-Diosa_Grundmeier_Keller_2024, title={Effect of DNA Origami
    Nanostructures on Bacterial Growth}, DOI={<a href="https://doi.org/10.1002/cbic.202400091">10.1002/cbic.202400091</a>},
    journal={ChemBioChem}, publisher={Wiley}, author={Garcia-Diosa, Jaime Andres and
    Grundmeier, Guido and Keller, Adrian}, year={2024} }'
  chicago: Garcia-Diosa, Jaime Andres, Guido Grundmeier, and Adrian Keller. “Effect
    of DNA Origami Nanostructures on Bacterial Growth.” <i>ChemBioChem</i>, 2024.
    <a href="https://doi.org/10.1002/cbic.202400091">https://doi.org/10.1002/cbic.202400091</a>.
  ieee: 'J. A. Garcia-Diosa, G. Grundmeier, and A. Keller, “Effect of DNA Origami
    Nanostructures on Bacterial Growth,” <i>ChemBioChem</i>, 2024, doi: <a href="https://doi.org/10.1002/cbic.202400091">10.1002/cbic.202400091</a>.'
  mla: Garcia-Diosa, Jaime Andres, et al. “Effect of DNA Origami Nanostructures on
    Bacterial Growth.” <i>ChemBioChem</i>, Wiley, 2024, doi:<a href="https://doi.org/10.1002/cbic.202400091">10.1002/cbic.202400091</a>.
  short: J.A. Garcia-Diosa, G. Grundmeier, A. Keller, ChemBioChem (2024).
date_created: 2024-02-03T12:41:16Z
date_updated: 2024-02-03T12:42:48Z
department:
- _id: '302'
doi: 10.1002/cbic.202400091
keyword:
- Organic Chemistry
- Molecular Biology
- Molecular Medicine
- Biochemistry
language:
- iso: eng
publication: ChemBioChem
publication_identifier:
  issn:
  - 1439-4227
  - 1439-7633
publication_status: published
publisher: Wiley
status: public
title: Effect of DNA Origami Nanostructures on Bacterial Growth
type: journal_article
user_id: '48864'
year: '2024'
...
---
_id: '51221'
abstract:
- lang: eng
  text: <jats:p>Charge transfer mechanism in the deprotonation-induced n-type doping
    of PCBM.</jats:p>
author:
- first_name: Chuan-Ding
  full_name: Dong, Chuan-Ding
  id: '67188'
  last_name: Dong
- first_name: Fabian
  full_name: Bauch, Fabian
  id: '61389'
  last_name: Bauch
  orcid: 0009-0008-6279-077X
- first_name: Yuanyuan
  full_name: Hu, Yuanyuan
  last_name: Hu
- first_name: Stefan
  full_name: Schumacher, Stefan
  id: '27271'
  last_name: Schumacher
  orcid: 0000-0003-4042-4951
citation:
  ama: Dong C-D, Bauch F, Hu Y, Schumacher S. Charge transfer in superbase n-type
    doping of PCBM induced by deprotonation. <i>Physical Chemistry Chemical Physics</i>.
    2024;26(5):4194-4199. doi:<a href="https://doi.org/10.1039/d3cp05105f">10.1039/d3cp05105f</a>
  apa: Dong, C.-D., Bauch, F., Hu, Y., &#38; Schumacher, S. (2024). Charge transfer
    in superbase n-type doping of PCBM induced by deprotonation. <i>Physical Chemistry
    Chemical Physics</i>, <i>26</i>(5), 4194–4199. <a href="https://doi.org/10.1039/d3cp05105f">https://doi.org/10.1039/d3cp05105f</a>
  bibtex: '@article{Dong_Bauch_Hu_Schumacher_2024, title={Charge transfer in superbase
    n-type doping of PCBM induced by deprotonation}, volume={26}, DOI={<a href="https://doi.org/10.1039/d3cp05105f">10.1039/d3cp05105f</a>},
    number={5}, journal={Physical Chemistry Chemical Physics}, publisher={Royal Society
    of Chemistry (RSC)}, author={Dong, Chuan-Ding and Bauch, Fabian and Hu, Yuanyuan
    and Schumacher, Stefan}, year={2024}, pages={4194–4199} }'
  chicago: 'Dong, Chuan-Ding, Fabian Bauch, Yuanyuan Hu, and Stefan Schumacher. “Charge
    Transfer in Superbase N-Type Doping of PCBM Induced by Deprotonation.” <i>Physical
    Chemistry Chemical Physics</i> 26, no. 5 (2024): 4194–99. <a href="https://doi.org/10.1039/d3cp05105f">https://doi.org/10.1039/d3cp05105f</a>.'
  ieee: 'C.-D. Dong, F. Bauch, Y. Hu, and S. Schumacher, “Charge transfer in superbase
    n-type doping of PCBM induced by deprotonation,” <i>Physical Chemistry Chemical
    Physics</i>, vol. 26, no. 5, pp. 4194–4199, 2024, doi: <a href="https://doi.org/10.1039/d3cp05105f">10.1039/d3cp05105f</a>.'
  mla: Dong, Chuan-Ding, et al. “Charge Transfer in Superbase N-Type Doping of PCBM
    Induced by Deprotonation.” <i>Physical Chemistry Chemical Physics</i>, vol. 26,
    no. 5, Royal Society of Chemistry (RSC), 2024, pp. 4194–99, doi:<a href="https://doi.org/10.1039/d3cp05105f">10.1039/d3cp05105f</a>.
  short: C.-D. Dong, F. Bauch, Y. Hu, S. Schumacher, Physical Chemistry Chemical Physics
    26 (2024) 4194–4199.
date_created: 2024-02-07T14:15:44Z
date_updated: 2024-02-07T14:35:55Z
department:
- _id: '35'
- _id: '15'
doi: 10.1039/d3cp05105f
intvolume: '        26'
issue: '5'
keyword:
- Physical and Theoretical Chemistry
- General Physics and Astronomy
language:
- iso: eng
page: 4194-4199
publication: Physical Chemistry Chemical Physics
publication_identifier:
  issn:
  - 1463-9076
  - 1463-9084
publication_status: published
publisher: Royal Society of Chemistry (RSC)
status: public
title: Charge transfer in superbase n-type doping of PCBM induced by deprotonation
type: journal_article
user_id: '61389'
volume: 26
year: '2024'
...
---
_id: '52097'
author:
- first_name: Iman
  full_name: Hami Dindar, Iman
  id: '54836'
  last_name: Hami Dindar
- first_name: Mona
  full_name: Mirzaei, Mona
  last_name: Mirzaei
- first_name: Elmar
  full_name: Baumhögger, Elmar
  id: '15164'
  last_name: Baumhögger
- first_name: Nicole
  full_name: Lutters, Nicole
  id: '22006'
  last_name: Lutters
  orcid: 0009-0006-7828-8448
- first_name: Eugeny Y.
  full_name: Kenig, Eugeny Y.
  id: '665'
  last_name: Kenig
citation:
  ama: 'Hami Dindar I, Mirzaei M, Baumhögger E, Lutters N, Kenig EY. Experimental
    and Theoretical Investigation of CO2 Absorption in Aqueous Solution of Glucosamine:
    Material Property and Equilibrium Data. <i>Journal of Chemical &#38; Engineering
    Data</i>. Published online 2024. doi:<a href="https://doi.org/10.1021/acs.jced.3c00554">10.1021/acs.jced.3c00554</a>'
  apa: 'Hami Dindar, I., Mirzaei, M., Baumhögger, E., Lutters, N., &#38; Kenig, E.
    Y. (2024). Experimental and Theoretical Investigation of CO2 Absorption in Aqueous
    Solution of Glucosamine: Material Property and Equilibrium Data. <i>Journal of
    Chemical &#38; Engineering Data</i>. <a href="https://doi.org/10.1021/acs.jced.3c00554">https://doi.org/10.1021/acs.jced.3c00554</a>'
  bibtex: '@article{Hami Dindar_Mirzaei_Baumhögger_Lutters_Kenig_2024, title={Experimental
    and Theoretical Investigation of CO2 Absorption in Aqueous Solution of Glucosamine:
    Material Property and Equilibrium Data}, DOI={<a href="https://doi.org/10.1021/acs.jced.3c00554">10.1021/acs.jced.3c00554</a>},
    journal={Journal of Chemical &#38; Engineering Data}, publisher={American Chemical
    Society (ACS)}, author={Hami Dindar, Iman and Mirzaei, Mona and Baumhögger, Elmar
    and Lutters, Nicole and Kenig, Eugeny Y.}, year={2024} }'
  chicago: 'Hami Dindar, Iman, Mona Mirzaei, Elmar Baumhögger, Nicole Lutters, and
    Eugeny Y. Kenig. “Experimental and Theoretical Investigation of CO2 Absorption
    in Aqueous Solution of Glucosamine: Material Property and Equilibrium Data.” <i>Journal
    of Chemical &#38; Engineering Data</i>, 2024. <a href="https://doi.org/10.1021/acs.jced.3c00554">https://doi.org/10.1021/acs.jced.3c00554</a>.'
  ieee: 'I. Hami Dindar, M. Mirzaei, E. Baumhögger, N. Lutters, and E. Y. Kenig, “Experimental
    and Theoretical Investigation of CO2 Absorption in Aqueous Solution of Glucosamine:
    Material Property and Equilibrium Data,” <i>Journal of Chemical &#38; Engineering
    Data</i>, 2024, doi: <a href="https://doi.org/10.1021/acs.jced.3c00554">10.1021/acs.jced.3c00554</a>.'
  mla: 'Hami Dindar, Iman, et al. “Experimental and Theoretical Investigation of CO2
    Absorption in Aqueous Solution of Glucosamine: Material Property and Equilibrium
    Data.” <i>Journal of Chemical &#38; Engineering Data</i>, American Chemical Society
    (ACS), 2024, doi:<a href="https://doi.org/10.1021/acs.jced.3c00554">10.1021/acs.jced.3c00554</a>.'
  short: I. Hami Dindar, M. Mirzaei, E. Baumhögger, N. Lutters, E.Y. Kenig, Journal
    of Chemical &#38; Engineering Data (2024).
date_created: 2024-02-27T11:00:37Z
date_updated: 2024-03-08T09:08:37Z
department:
- _id: '9'
- _id: '145'
doi: 10.1021/acs.jced.3c00554
keyword:
- General Chemical Engineering
- General Chemistry
language:
- iso: eng
publication: Journal of Chemical & Engineering Data
publication_identifier:
  issn:
  - 0021-9568
  - 1520-5134
publication_status: published
publisher: American Chemical Society (ACS)
quality_controlled: '1'
status: public
title: 'Experimental and Theoretical Investigation of CO2 Absorption in Aqueous Solution
  of Glucosamine: Material Property and Equilibrium Data'
type: journal_article
user_id: '22006'
year: '2024'
...
---
_id: '52226'
author:
- first_name: Mike
  full_name: Weber, Mike
  id: '72973'
  last_name: Weber
- first_name: Nicole
  full_name: Lutters, Nicole
  id: '22006'
  last_name: Lutters
  orcid: 0009-0006-7828-8448
- first_name: Eugeny Y.
  full_name: Kenig, Eugeny Y.
  id: '665'
  last_name: Kenig
citation:
  ama: 'Weber M, Lutters N, Kenig EY. Dynamics of an Absorption/Desorption Plant:
    Experimental Study and Model Validation. <i>Industrial &#38;amp; Engineering Chemistry
    Research</i>. Published online 2024. doi:<a href="https://doi.org/10.1021/acs.iecr.3c03262">10.1021/acs.iecr.3c03262</a>'
  apa: 'Weber, M., Lutters, N., &#38; Kenig, E. Y. (2024). Dynamics of an Absorption/Desorption
    Plant: Experimental Study and Model Validation. <i>Industrial &#38;amp; Engineering
    Chemistry Research</i>. <a href="https://doi.org/10.1021/acs.iecr.3c03262">https://doi.org/10.1021/acs.iecr.3c03262</a>'
  bibtex: '@article{Weber_Lutters_Kenig_2024, title={Dynamics of an Absorption/Desorption
    Plant: Experimental Study and Model Validation}, DOI={<a href="https://doi.org/10.1021/acs.iecr.3c03262">10.1021/acs.iecr.3c03262</a>},
    journal={Industrial &#38;amp; Engineering Chemistry Research}, publisher={American
    Chemical Society (ACS)}, author={Weber, Mike and Lutters, Nicole and Kenig, Eugeny
    Y.}, year={2024} }'
  chicago: 'Weber, Mike, Nicole Lutters, and Eugeny Y. Kenig. “Dynamics of an Absorption/Desorption
    Plant: Experimental Study and Model Validation.” <i>Industrial &#38;amp; Engineering
    Chemistry Research</i>, 2024. <a href="https://doi.org/10.1021/acs.iecr.3c03262">https://doi.org/10.1021/acs.iecr.3c03262</a>.'
  ieee: 'M. Weber, N. Lutters, and E. Y. Kenig, “Dynamics of an Absorption/Desorption
    Plant: Experimental Study and Model Validation,” <i>Industrial &#38;amp; Engineering
    Chemistry Research</i>, 2024, doi: <a href="https://doi.org/10.1021/acs.iecr.3c03262">10.1021/acs.iecr.3c03262</a>.'
  mla: 'Weber, Mike, et al. “Dynamics of an Absorption/Desorption Plant: Experimental
    Study and Model Validation.” <i>Industrial &#38;amp; Engineering Chemistry Research</i>,
    American Chemical Society (ACS), 2024, doi:<a href="https://doi.org/10.1021/acs.iecr.3c03262">10.1021/acs.iecr.3c03262</a>.'
  short: M. Weber, N. Lutters, E.Y. Kenig, Industrial &#38;amp; Engineering Chemistry
    Research (2024).
date_created: 2024-03-01T09:36:20Z
date_updated: 2024-03-08T09:10:16Z
department:
- _id: '9'
- _id: '145'
doi: 10.1021/acs.iecr.3c03262
keyword:
- Industrial and Manufacturing Engineering
- General Chemical Engineering
- General Chemistry
language:
- iso: eng
publication: Industrial &amp; Engineering Chemistry Research
publication_identifier:
  issn:
  - 0888-5885
  - 1520-5045
publication_status: published
publisher: American Chemical Society (ACS)
quality_controlled: '1'
status: public
title: 'Dynamics of an Absorption/Desorption Plant: Experimental Study and Model Validation'
type: journal_article
user_id: '22006'
year: '2024'
...
---
_id: '52541'
abstract:
- lang: eng
  text: <jats:title>Abstract</jats:title><jats:p>We conducted an investigation into
    the palladium‐catalyzed carbon‐sulfur cross‐coupling reaction involving a 2‐bromothiophene
    derivative and potassium thioacetate as a substitute for hydrogen sulfide. This
    investigation utilized kinetic and computational methods. We synthesized two palladium
    complexes supported by the bisphosphane ligands bis(diphenylphosphino)ferrocene
    (DPPF) and bis(diisopropylphosphino)ferrocene (D<jats:italic>i</jats:italic>PPF),
    as well as their tentative intermediates in the catalytic cycle. Reaction rates
    were measured and then compared to computational predictions.</jats:p>
author:
- first_name: Sebastian
  full_name: Peschtrich, Sebastian
  last_name: Peschtrich
- first_name: Roland
  full_name: Schoch, Roland
  id: '48467'
  last_name: Schoch
  orcid: 0000-0003-2061-7289
- first_name: Dirk
  full_name: Kuckling, Dirk
  id: '287'
  last_name: Kuckling
- first_name: Jan
  full_name: Paradies, Jan
  id: '53339'
  last_name: Paradies
  orcid: 0000-0002-3698-668X
citation:
  ama: Peschtrich S, Schoch R, Kuckling D, Paradies J. A Comparative Kinetic and Computational
    Investigation of the Carbon‐Sulfur Cross Coupling of Potassium Thioacetate and
    2‐Bromo Thiophene Using Palladium/Bisphosphine Complexes. <i>European Journal
    of Organic Chemistry</i>. 2024;27(8). doi:<a href="https://doi.org/10.1002/ejoc.202301207">10.1002/ejoc.202301207</a>
  apa: Peschtrich, S., Schoch, R., Kuckling, D., &#38; Paradies, J. (2024). A Comparative
    Kinetic and Computational Investigation of the Carbon‐Sulfur Cross Coupling of
    Potassium Thioacetate and 2‐Bromo Thiophene Using Palladium/Bisphosphine Complexes.
    <i>European Journal of Organic Chemistry</i>, <i>27</i>(8). <a href="https://doi.org/10.1002/ejoc.202301207">https://doi.org/10.1002/ejoc.202301207</a>
  bibtex: '@article{Peschtrich_Schoch_Kuckling_Paradies_2024, title={A Comparative
    Kinetic and Computational Investigation of the Carbon‐Sulfur Cross Coupling of
    Potassium Thioacetate and 2‐Bromo Thiophene Using Palladium/Bisphosphine Complexes},
    volume={27}, DOI={<a href="https://doi.org/10.1002/ejoc.202301207">10.1002/ejoc.202301207</a>},
    number={8}, journal={European Journal of Organic Chemistry}, publisher={Wiley},
    author={Peschtrich, Sebastian and Schoch, Roland and Kuckling, Dirk and Paradies,
    Jan}, year={2024} }'
  chicago: Peschtrich, Sebastian, Roland Schoch, Dirk Kuckling, and Jan Paradies.
    “A Comparative Kinetic and Computational Investigation of the Carbon‐Sulfur Cross
    Coupling of Potassium Thioacetate and 2‐Bromo Thiophene Using Palladium/Bisphosphine
    Complexes.” <i>European Journal of Organic Chemistry</i> 27, no. 8 (2024). <a
    href="https://doi.org/10.1002/ejoc.202301207">https://doi.org/10.1002/ejoc.202301207</a>.
  ieee: 'S. Peschtrich, R. Schoch, D. Kuckling, and J. Paradies, “A Comparative Kinetic
    and Computational Investigation of the Carbon‐Sulfur Cross Coupling of Potassium
    Thioacetate and 2‐Bromo Thiophene Using Palladium/Bisphosphine Complexes,” <i>European
    Journal of Organic Chemistry</i>, vol. 27, no. 8, 2024, doi: <a href="https://doi.org/10.1002/ejoc.202301207">10.1002/ejoc.202301207</a>.'
  mla: Peschtrich, Sebastian, et al. “A Comparative Kinetic and Computational Investigation
    of the Carbon‐Sulfur Cross Coupling of Potassium Thioacetate and 2‐Bromo Thiophene
    Using Palladium/Bisphosphine Complexes.” <i>European Journal of Organic Chemistry</i>,
    vol. 27, no. 8, Wiley, 2024, doi:<a href="https://doi.org/10.1002/ejoc.202301207">10.1002/ejoc.202301207</a>.
  short: S. Peschtrich, R. Schoch, D. Kuckling, J. Paradies, European Journal of Organic
    Chemistry 27 (2024).
date_created: 2024-03-13T17:15:14Z
date_updated: 2024-03-13T17:17:37Z
department:
- _id: '2'
- _id: '389'
doi: 10.1002/ejoc.202301207
intvolume: '        27'
issue: '8'
keyword:
- Organic Chemistry
- Physical and Theoretical Chemistry
language:
- iso: eng
publication: European Journal of Organic Chemistry
publication_identifier:
  issn:
  - 1434-193X
  - 1099-0690
publication_status: published
publisher: Wiley
status: public
title: A Comparative Kinetic and Computational Investigation of the Carbon‐Sulfur
  Cross Coupling of Potassium Thioacetate and 2‐Bromo Thiophene Using Palladium/Bisphosphine
  Complexes
type: journal_article
user_id: '53339'
volume: 27
year: '2024'
...
---
_id: '52572'
abstract:
- lang: eng
  text: <jats:p>A series of substituted ferrocenyl boron derivatives was synthesized.
    The oxidation of the ferrocenyl unit resulted in a significant increase of the
    boron‐centered Lewis acidity. The neutral and cationic Lewis acids were characterized
    by NMR‐spectroscopy, crystal structure analysis and by computational methods.
    The new Lewis acids were then applied in the Meinwald rearrangement of epoxides,
    predominantly furnishing aldehydes as the kinetic products.</jats:p>
author:
- first_name: Laura
  full_name: Köring, Laura
  last_name: Köring
- first_name: Bernhard
  full_name: Birenheide, Bernhard
  last_name: Birenheide
- first_name: Felix
  full_name: Krämer, Felix
  last_name: Krämer
- first_name: Jonas O.
  full_name: Wenzel, Jonas O.
  last_name: Wenzel
- first_name: Roland
  full_name: Schoch, Roland
  id: '48467'
  last_name: Schoch
  orcid: 0000-0003-2061-7289
- first_name: Martin
  full_name: Brehm, Martin
  id: '100167'
  last_name: Brehm
- first_name: Frank
  full_name: Breher, Frank
  last_name: Breher
- first_name: Jan
  full_name: Paradies, Jan
  id: '53339'
  last_name: Paradies
  orcid: 0000-0002-3698-668X
citation:
  ama: Köring L, Birenheide B, Krämer F, et al. Synthesis of Ferrocenyl Boranes and
    their Application as Lewis Acids in Epoxide Rearrangements. <i>European Journal
    of Inorganic Chemistry</i>. Published online 2024. doi:<a href="https://doi.org/10.1002/ejic.202400057">10.1002/ejic.202400057</a>
  apa: Köring, L., Birenheide, B., Krämer, F., Wenzel, J. O., Schoch, R., Brehm, M.,
    Breher, F., &#38; Paradies, J. (2024). Synthesis of Ferrocenyl Boranes and their
    Application as Lewis Acids in Epoxide Rearrangements. <i>European Journal of Inorganic
    Chemistry</i>. <a href="https://doi.org/10.1002/ejic.202400057">https://doi.org/10.1002/ejic.202400057</a>
  bibtex: '@article{Köring_Birenheide_Krämer_Wenzel_Schoch_Brehm_Breher_Paradies_2024,
    title={Synthesis of Ferrocenyl Boranes and their Application as Lewis Acids in
    Epoxide Rearrangements}, DOI={<a href="https://doi.org/10.1002/ejic.202400057">10.1002/ejic.202400057</a>},
    journal={European Journal of Inorganic Chemistry}, publisher={Wiley}, author={Köring,
    Laura and Birenheide, Bernhard and Krämer, Felix and Wenzel, Jonas O. and Schoch,
    Roland and Brehm, Martin and Breher, Frank and Paradies, Jan}, year={2024} }'
  chicago: Köring, Laura, Bernhard Birenheide, Felix Krämer, Jonas O. Wenzel, Roland
    Schoch, Martin Brehm, Frank Breher, and Jan Paradies. “Synthesis of Ferrocenyl
    Boranes and Their Application as Lewis Acids in Epoxide Rearrangements.” <i>European
    Journal of Inorganic Chemistry</i>, 2024. <a href="https://doi.org/10.1002/ejic.202400057">https://doi.org/10.1002/ejic.202400057</a>.
  ieee: 'L. Köring <i>et al.</i>, “Synthesis of Ferrocenyl Boranes and their Application
    as Lewis Acids in Epoxide Rearrangements,” <i>European Journal of Inorganic Chemistry</i>,
    2024, doi: <a href="https://doi.org/10.1002/ejic.202400057">10.1002/ejic.202400057</a>.'
  mla: Köring, Laura, et al. “Synthesis of Ferrocenyl Boranes and Their Application
    as Lewis Acids in Epoxide Rearrangements.” <i>European Journal of Inorganic Chemistry</i>,
    Wiley, 2024, doi:<a href="https://doi.org/10.1002/ejic.202400057">10.1002/ejic.202400057</a>.
  short: L. Köring, B. Birenheide, F. Krämer, J.O. Wenzel, R. Schoch, M. Brehm, F.
    Breher, J. Paradies, European Journal of Inorganic Chemistry (2024).
date_created: 2024-03-14T07:09:09Z
date_updated: 2024-03-14T07:10:37Z
department:
- _id: '2'
- _id: '389'
doi: 10.1002/ejic.202400057
keyword:
- Inorganic Chemistry
language:
- iso: eng
publication: European Journal of Inorganic Chemistry
publication_identifier:
  issn:
  - 1434-1948
  - 1099-0682
publication_status: published
publisher: Wiley
status: public
title: Synthesis of Ferrocenyl Boranes and their Application as Lewis Acids in Epoxide
  Rearrangements
type: journal_article
user_id: '53339'
year: '2024'
...
---
_id: '52534'
author:
- first_name: Fabian
  full_name: Bauch, Fabian
  id: '61389'
  last_name: Bauch
  orcid: 0009-0008-6279-077X
- first_name: Chuan-Ding
  full_name: Dong, Chuan-Ding
  id: '67188'
  last_name: Dong
- first_name: Stefan
  full_name: Schumacher, Stefan
  id: '27271'
  last_name: Schumacher
  orcid: 0000-0003-4042-4951
citation:
  ama: Bauch F, Dong C-D, Schumacher S. Dynamics of Electron–Hole Coulomb Attractive
    Energy and Dipole Moment of Hot Excitons in Donor–Acceptor Polymers. <i>The Journal
    of Physical Chemistry C</i>. 2024;128(8):3525-3532. doi:<a href="https://doi.org/10.1021/acs.jpcc.3c07513">10.1021/acs.jpcc.3c07513</a>
  apa: Bauch, F., Dong, C.-D., &#38; Schumacher, S. (2024). Dynamics of Electron–Hole
    Coulomb Attractive Energy and Dipole Moment of Hot Excitons in Donor–Acceptor
    Polymers. <i>The Journal of Physical Chemistry C</i>, <i>128</i>(8), 3525–3532.
    <a href="https://doi.org/10.1021/acs.jpcc.3c07513">https://doi.org/10.1021/acs.jpcc.3c07513</a>
  bibtex: '@article{Bauch_Dong_Schumacher_2024, title={Dynamics of Electron–Hole Coulomb
    Attractive Energy and Dipole Moment of Hot Excitons in Donor–Acceptor Polymers},
    volume={128}, DOI={<a href="https://doi.org/10.1021/acs.jpcc.3c07513">10.1021/acs.jpcc.3c07513</a>},
    number={8}, journal={The Journal of Physical Chemistry C}, publisher={American
    Chemical Society (ACS)}, author={Bauch, Fabian and Dong, Chuan-Ding and Schumacher,
    Stefan}, year={2024}, pages={3525–3532} }'
  chicago: 'Bauch, Fabian, Chuan-Ding Dong, and Stefan Schumacher. “Dynamics of Electron–Hole
    Coulomb Attractive Energy and Dipole Moment of Hot Excitons in Donor–Acceptor
    Polymers.” <i>The Journal of Physical Chemistry C</i> 128, no. 8 (2024): 3525–32.
    <a href="https://doi.org/10.1021/acs.jpcc.3c07513">https://doi.org/10.1021/acs.jpcc.3c07513</a>.'
  ieee: 'F. Bauch, C.-D. Dong, and S. Schumacher, “Dynamics of Electron–Hole Coulomb
    Attractive Energy and Dipole Moment of Hot Excitons in Donor–Acceptor Polymers,”
    <i>The Journal of Physical Chemistry C</i>, vol. 128, no. 8, pp. 3525–3532, 2024,
    doi: <a href="https://doi.org/10.1021/acs.jpcc.3c07513">10.1021/acs.jpcc.3c07513</a>.'
  mla: Bauch, Fabian, et al. “Dynamics of Electron–Hole Coulomb Attractive Energy
    and Dipole Moment of Hot Excitons in Donor–Acceptor Polymers.” <i>The Journal
    of Physical Chemistry C</i>, vol. 128, no. 8, American Chemical Society (ACS),
    2024, pp. 3525–32, doi:<a href="https://doi.org/10.1021/acs.jpcc.3c07513">10.1021/acs.jpcc.3c07513</a>.
  short: F. Bauch, C.-D. Dong, S. Schumacher, The Journal of Physical Chemistry C
    128 (2024) 3525–3532.
date_created: 2024-03-13T12:23:15Z
date_updated: 2024-03-14T09:27:57Z
department:
- _id: '35'
- _id: '15'
doi: 10.1021/acs.jpcc.3c07513
intvolume: '       128'
issue: '8'
keyword:
- Surfaces
- Coatings and Films
- Physical and Theoretical Chemistry
- General Energy
- Electronic
- Optical and Magnetic Materials
language:
- iso: eng
page: 3525-3532
publication: The Journal of Physical Chemistry C
publication_identifier:
  issn:
  - 1932-7447
  - 1932-7455
publication_status: published
publisher: American Chemical Society (ACS)
status: public
title: Dynamics of Electron–Hole Coulomb Attractive Energy and Dipole Moment of Hot
  Excitons in Donor–Acceptor Polymers
type: journal_article
user_id: '61389'
volume: 128
year: '2024'
...
---
_id: '50726'
abstract:
- lang: eng
  text: <jats:p>Resistance spot‐welded joints containing press‐hardened steels are
    seen to exhibit a fracture mode called total dome failure, where the weld nugget
    completely separates from one steel sheet along the weld nugget edge. The effect
    of weld nugget shape and material property gradients is studied based on damage
    mechanics modeling and experimental validation to shed light on the underlying
    influencing factors. For a three‐steel‐sheet spot‐welded joint combining DP600
    (1.5 mm)–CR1900T (1.0 mm)–CR1900T (1.0 mm), experiments under shear loading reveal
    that fracture occurs in the DP600 sheet along the weld nugget edge. In subsequent
    numerical simulation studies with damage mechanics models whose parameters are
    independently calibrated for every involved material configuration, three variations
    of the geometrical joint configuration are considered—an approximation of the
    real joint, one variation with a steeper weld nugget shape, and one variation
    with a less pronounced gradient between weld nugget material and heat‐affected
    zone material properties. The results of the finite‐element simulations show that
    a shallower weld nugget and a more pronounced material gradient lead to a faster
    increase of plastic strain at the edge of the weld nugget and promote the occurrence
    of total dome failure.</jats:p>
author:
- first_name: Lilia
  full_name: Schuster, Lilia
  last_name: Schuster
- first_name: Viktoria
  full_name: Olfert, Viktoria
  id: '5974'
  last_name: Olfert
- first_name: Oleksii
  full_name: Sherepenko, Oleksii
  last_name: Sherepenko
- first_name: Clemens
  full_name: Fehrenbach, Clemens
  last_name: Fehrenbach
- first_name: Shiyuan
  full_name: Song, Shiyuan
  last_name: Song
- first_name: David
  full_name: Hein, David
  id: '7728'
  last_name: Hein
- first_name: Gerson
  full_name: Meschut, Gerson
  id: '32056'
  last_name: Meschut
  orcid: 0000-0002-2763-1246
- first_name: Elliot
  full_name: Biro, Elliot
  last_name: Biro
- first_name: Sebastian
  full_name: Münstermann, Sebastian
  last_name: Münstermann
citation:
  ama: Schuster L, Olfert V, Sherepenko O, et al. Influences of Weld Nugget Shape
    and Material Gradient on the Shear Strength of Resistance Spot‐Welded Joints.
    <i>steel research international</i>. Published online 2024. doi:<a href="https://doi.org/10.1002/srin.202300530">10.1002/srin.202300530</a>
  apa: Schuster, L., Olfert, V., Sherepenko, O., Fehrenbach, C., Song, S., Hein, D.,
    Meschut, G., Biro, E., &#38; Münstermann, S. (2024). Influences of Weld Nugget
    Shape and Material Gradient on the Shear Strength of Resistance Spot‐Welded Joints.
    <i>Steel Research International</i>. <a href="https://doi.org/10.1002/srin.202300530">https://doi.org/10.1002/srin.202300530</a>
  bibtex: '@article{Schuster_Olfert_Sherepenko_Fehrenbach_Song_Hein_Meschut_Biro_Münstermann_2024,
    title={Influences of Weld Nugget Shape and Material Gradient on the Shear Strength
    of Resistance Spot‐Welded Joints}, DOI={<a href="https://doi.org/10.1002/srin.202300530">10.1002/srin.202300530</a>},
    journal={steel research international}, publisher={Wiley}, author={Schuster, Lilia
    and Olfert, Viktoria and Sherepenko, Oleksii and Fehrenbach, Clemens and Song,
    Shiyuan and Hein, David and Meschut, Gerson and Biro, Elliot and Münstermann,
    Sebastian}, year={2024} }'
  chicago: Schuster, Lilia, Viktoria Olfert, Oleksii Sherepenko, Clemens Fehrenbach,
    Shiyuan Song, David Hein, Gerson Meschut, Elliot Biro, and Sebastian Münstermann.
    “Influences of Weld Nugget Shape and Material Gradient on the Shear Strength of
    Resistance Spot‐Welded Joints.” <i>Steel Research International</i>, 2024. <a
    href="https://doi.org/10.1002/srin.202300530">https://doi.org/10.1002/srin.202300530</a>.
  ieee: 'L. Schuster <i>et al.</i>, “Influences of Weld Nugget Shape and Material
    Gradient on the Shear Strength of Resistance Spot‐Welded Joints,” <i>steel research
    international</i>, 2024, doi: <a href="https://doi.org/10.1002/srin.202300530">10.1002/srin.202300530</a>.'
  mla: Schuster, Lilia, et al. “Influences of Weld Nugget Shape and Material Gradient
    on the Shear Strength of Resistance Spot‐Welded Joints.” <i>Steel Research International</i>,
    Wiley, 2024, doi:<a href="https://doi.org/10.1002/srin.202300530">10.1002/srin.202300530</a>.
  short: L. Schuster, V. Olfert, O. Sherepenko, C. Fehrenbach, S. Song, D. Hein, G.
    Meschut, E. Biro, S. Münstermann, Steel Research International (2024).
date_created: 2024-01-22T09:17:07Z
date_updated: 2024-03-18T12:49:31Z
department:
- _id: '157'
doi: 10.1002/srin.202300530
keyword:
- Materials Chemistry
- Metals and Alloys
- Physical and Theoretical Chemistry
- Condensed Matter Physics
language:
- iso: eng
publication: steel research international
publication_identifier:
  issn:
  - 1611-3683
  - 1869-344X
publication_status: published
publisher: Wiley
quality_controlled: '1'
status: public
title: Influences of Weld Nugget Shape and Material Gradient on the Shear Strength
  of Resistance Spot‐Welded Joints
type: journal_article
user_id: '5974'
year: '2024'
...
---
_id: '52738'
abstract:
- lang: eng
  text: <jats:p>Through tailoring the geometry and design of biomaterials, additive
    manufacturing is revolutionizing the production of metallic patient-specific implants,
    e.g., the Ti-6Al-7Nb alloy. Unfortunately, studies investigating this alloy showed
    that additively produced samples exhibit anisotropic microstructures. This anisotropy
    compromises the mechanical properties and complicates the loading state in the
    implant. Moreover, the minimum requirements as specified per designated standards
    such as ISO 5832-11 are not met. The remedy to this problem is performing a conventional
    heat treatment. As this route requires energy, infrastructure, labor, and expertise,
    which in turn mean time and money, many of the additive manufacturing benefits
    are negated. Thus, the goal of this work was to achieve better isotropy by applying
    only adapted additive manufacturing process parameters, specifically focusing
    on the build orientations. In this work, samples orientated in 90°, 45°, and 0°
    directions relative to the building platform were manufactured and tested. These
    tests included mechanical (tensile and fatigue tests) as well as microstructural
    analyses (SEM and EBSD). Subsequently, the results of these tests such as fractography
    were correlated with the acquired mechanical properties. These showed that 90°-aligned
    samples performed best under fatigue load and that all requirements specified
    by the standard regarding monotonic load were met.</jats:p>
article_number: '117'
author:
- first_name: Dennis
  full_name: Milaege, Dennis
  id: '35461'
  last_name: Milaege
- first_name: Niklas
  full_name: Eschemann, Niklas
  last_name: Eschemann
- first_name: Kay-Peter
  full_name: Hoyer, Kay-Peter
  id: '48411'
  last_name: Hoyer
- first_name: Mirko
  full_name: Schaper, Mirko
  id: '43720'
  last_name: Schaper
citation:
  ama: Milaege D, Eschemann N, Hoyer K-P, Schaper M. Anisotropic Mechanical and Microstructural
    Properties of a Ti-6Al-7Nb Alloy for Biomedical Applications Manufactured via
    Laser Powder Bed Fusion. <i>Crystals</i>. 2024;14(2). doi:<a href="https://doi.org/10.3390/cryst14020117">10.3390/cryst14020117</a>
  apa: Milaege, D., Eschemann, N., Hoyer, K.-P., &#38; Schaper, M. (2024). Anisotropic
    Mechanical and Microstructural Properties of a Ti-6Al-7Nb Alloy for Biomedical
    Applications Manufactured via Laser Powder Bed Fusion. <i>Crystals</i>, <i>14</i>(2),
    Article 117. <a href="https://doi.org/10.3390/cryst14020117">https://doi.org/10.3390/cryst14020117</a>
  bibtex: '@article{Milaege_Eschemann_Hoyer_Schaper_2024, title={Anisotropic Mechanical
    and Microstructural Properties of a Ti-6Al-7Nb Alloy for Biomedical Applications
    Manufactured via Laser Powder Bed Fusion}, volume={14}, DOI={<a href="https://doi.org/10.3390/cryst14020117">10.3390/cryst14020117</a>},
    number={2117}, journal={Crystals}, publisher={MDPI AG}, author={Milaege, Dennis
    and Eschemann, Niklas and Hoyer, Kay-Peter and Schaper, Mirko}, year={2024} }'
  chicago: Milaege, Dennis, Niklas Eschemann, Kay-Peter Hoyer, and Mirko Schaper.
    “Anisotropic Mechanical and Microstructural Properties of a Ti-6Al-7Nb Alloy for
    Biomedical Applications Manufactured via Laser Powder Bed Fusion.” <i>Crystals</i>
    14, no. 2 (2024). <a href="https://doi.org/10.3390/cryst14020117">https://doi.org/10.3390/cryst14020117</a>.
  ieee: 'D. Milaege, N. Eschemann, K.-P. Hoyer, and M. Schaper, “Anisotropic Mechanical
    and Microstructural Properties of a Ti-6Al-7Nb Alloy for Biomedical Applications
    Manufactured via Laser Powder Bed Fusion,” <i>Crystals</i>, vol. 14, no. 2, Art.
    no. 117, 2024, doi: <a href="https://doi.org/10.3390/cryst14020117">10.3390/cryst14020117</a>.'
  mla: Milaege, Dennis, et al. “Anisotropic Mechanical and Microstructural Properties
    of a Ti-6Al-7Nb Alloy for Biomedical Applications Manufactured via Laser Powder
    Bed Fusion.” <i>Crystals</i>, vol. 14, no. 2, 117, MDPI AG, 2024, doi:<a href="https://doi.org/10.3390/cryst14020117">10.3390/cryst14020117</a>.
  short: D. Milaege, N. Eschemann, K.-P. Hoyer, M. Schaper, Crystals 14 (2024).
date_created: 2024-03-22T13:46:37Z
date_updated: 2024-03-22T14:22:36Z
department:
- _id: '158'
- _id: '321'
doi: 10.3390/cryst14020117
intvolume: '        14'
issue: '2'
keyword:
- Inorganic Chemistry
- Condensed Matter Physics
- General Materials Science
- General Chemical Engineering
language:
- iso: eng
publication: Crystals
publication_identifier:
  issn:
  - 2073-4352
publication_status: published
publisher: MDPI AG
quality_controlled: '1'
status: public
title: Anisotropic Mechanical and Microstructural Properties of a Ti-6Al-7Nb Alloy
  for Biomedical Applications Manufactured via Laser Powder Bed Fusion
type: journal_article
user_id: '35461'
volume: 14
year: '2024'
...
---
_id: '52372'
abstract:
- lang: eng
  text: Due to the hydrolytic instability of LiPF6 in carbonate-based solvents, HF
    is a typical impurity in Li-ion battery electrolytes. HF significantly influences
    the performance of Li-ion batteries, for example by impacting the formation of
    the solid electrolyte interphase at the anode and by affecting transition metal
    dissolution at the cathode. Additionally, HF complicates studying fundamental
    interfacial electrochemistry of Li-ion battery electrolytes, such as direct anion
    reduction, because it is electrocatalytically relatively unstable, resulting in
    LiF passivation layers. Methods to selectively remove ppm levels of HF from LiPF6-containing
    carbonate-based electrolytes are limited. We introduce and benchmark a simple
    yet efficient electrochemical in situ method to selectively remove ppm amounts
    of HF from LiPF6-containing carbonate-based electrolytes. The basic idea is the
    application of a suitable potential to a high surface-area metallic electrode
    upon which only HF reacts (electrocatalytically) while all other electrolyte components
    are unaffected under the respective conditions.
article_type: original
author:
- first_name: Xiaokun
  full_name: Ge, Xiaokun
  last_name: Ge
- first_name: Marten
  full_name: Huck, Marten
  last_name: Huck
- first_name: Andreas
  full_name: Kuhlmann, Andreas
  last_name: Kuhlmann
- first_name: Michael
  full_name: Tiemann, Michael
  id: '23547'
  last_name: Tiemann
  orcid: 0000-0003-1711-2722
- first_name: Christian
  full_name: Weinberger, Christian
  id: '11848'
  last_name: Weinberger
- first_name: Xiaodan
  full_name: Xu, Xiaodan
  last_name: Xu
- first_name: Zhenyu
  full_name: Zhao, Zhenyu
  last_name: Zhao
- first_name: Hans-Georg
  full_name: Steinrueck, Hans-Georg
  last_name: Steinrueck
citation:
  ama: Ge X, Huck M, Kuhlmann A, et al. Electrochemical Removal of HF from Carbonate-based
    LiPF6-containing Li-ion Battery Electrolytes. <i>Journal of The Electrochemical
    Society</i>. 2024;171:030552. doi:<a href="https://doi.org/10.1149/1945-7111/ad30d3">10.1149/1945-7111/ad30d3</a>
  apa: Ge, X., Huck, M., Kuhlmann, A., Tiemann, M., Weinberger, C., Xu, X., Zhao,
    Z., &#38; Steinrueck, H.-G. (2024). Electrochemical Removal of HF from Carbonate-based
    LiPF6-containing Li-ion Battery Electrolytes. <i>Journal of The Electrochemical
    Society</i>, <i>171</i>, 030552. <a href="https://doi.org/10.1149/1945-7111/ad30d3">https://doi.org/10.1149/1945-7111/ad30d3</a>
  bibtex: '@article{Ge_Huck_Kuhlmann_Tiemann_Weinberger_Xu_Zhao_Steinrueck_2024, title={Electrochemical
    Removal of HF from Carbonate-based LiPF6-containing Li-ion Battery Electrolytes},
    volume={171}, DOI={<a href="https://doi.org/10.1149/1945-7111/ad30d3">10.1149/1945-7111/ad30d3</a>},
    journal={Journal of The Electrochemical Society}, publisher={The Electrochemical
    Society}, author={Ge, Xiaokun and Huck, Marten and Kuhlmann, Andreas and Tiemann,
    Michael and Weinberger, Christian and Xu, Xiaodan and Zhao, Zhenyu and Steinrueck,
    Hans-Georg}, year={2024}, pages={030552} }'
  chicago: 'Ge, Xiaokun, Marten Huck, Andreas Kuhlmann, Michael Tiemann, Christian
    Weinberger, Xiaodan Xu, Zhenyu Zhao, and Hans-Georg Steinrueck. “Electrochemical
    Removal of HF from Carbonate-Based LiPF6-Containing Li-Ion Battery Electrolytes.”
    <i>Journal of The Electrochemical Society</i> 171 (2024): 030552. <a href="https://doi.org/10.1149/1945-7111/ad30d3">https://doi.org/10.1149/1945-7111/ad30d3</a>.'
  ieee: 'X. Ge <i>et al.</i>, “Electrochemical Removal of HF from Carbonate-based
    LiPF6-containing Li-ion Battery Electrolytes,” <i>Journal of The Electrochemical
    Society</i>, vol. 171, p. 030552, 2024, doi: <a href="https://doi.org/10.1149/1945-7111/ad30d3">10.1149/1945-7111/ad30d3</a>.'
  mla: Ge, Xiaokun, et al. “Electrochemical Removal of HF from Carbonate-Based LiPF6-Containing
    Li-Ion Battery Electrolytes.” <i>Journal of The Electrochemical Society</i>, vol.
    171, The Electrochemical Society, 2024, p. 030552, doi:<a href="https://doi.org/10.1149/1945-7111/ad30d3">10.1149/1945-7111/ad30d3</a>.
  short: X. Ge, M. Huck, A. Kuhlmann, M. Tiemann, C. Weinberger, X. Xu, Z. Zhao, H.-G.
    Steinrueck, Journal of The Electrochemical Society 171 (2024) 030552.
date_created: 2024-03-08T06:27:10Z
date_updated: 2024-03-25T17:01:09Z
department:
- _id: '35'
- _id: '2'
- _id: '307'
doi: 10.1149/1945-7111/ad30d3
intvolume: '       171'
keyword:
- Materials Chemistry
- Electrochemistry
- Surfaces
- Coatings and Films
- Condensed Matter Physics
- Renewable Energy
- Sustainability and the Environment
- Electronic
- Optical and Magnetic Materials
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://dx.doi.org/10.1149/1945-7111/ad30d3
oa: '1'
page: '030552'
publication: Journal of The Electrochemical Society
publication_identifier:
  issn:
  - 0013-4651
  - 1945-7111
publication_status: published
publisher: The Electrochemical Society
quality_controlled: '1'
status: public
title: Electrochemical Removal of HF from Carbonate-based LiPF6-containing Li-ion
  Battery Electrolytes
type: journal_article
user_id: '23547'
volume: 171
year: '2024'
...
---
_id: '53163'
abstract:
- lang: eng
  text: <jats:p>An SPR-based dually crosslinked gel sensor for adiponitrile bearing
    pillar[5]arene responsive sites with a low limit of detection was developed.</jats:p>
article_type: original
author:
- first_name: Maksim
  full_name: Rodin, Maksim
  last_name: Rodin
- first_name: David
  full_name: Helle, David
  last_name: Helle
- first_name: Dirk
  full_name: Kuckling, Dirk
  id: '287'
  last_name: Kuckling
citation:
  ama: Rodin M, Helle D, Kuckling D. Pillar[5]arene-based dually crosslinked supramolecular
    gel as a sensor for the detection of adiponitrile. <i>Polymer Chemistry</i>. 2024;15(7):661-679.
    doi:<a href="https://doi.org/10.1039/d3py01354e">10.1039/d3py01354e</a>
  apa: Rodin, M., Helle, D., &#38; Kuckling, D. (2024). Pillar[5]arene-based dually
    crosslinked supramolecular gel as a sensor for the detection of adiponitrile.
    <i>Polymer Chemistry</i>, <i>15</i>(7), 661–679. <a href="https://doi.org/10.1039/d3py01354e">https://doi.org/10.1039/d3py01354e</a>
  bibtex: '@article{Rodin_Helle_Kuckling_2024, title={Pillar[5]arene-based dually
    crosslinked supramolecular gel as a sensor for the detection of adiponitrile},
    volume={15}, DOI={<a href="https://doi.org/10.1039/d3py01354e">10.1039/d3py01354e</a>},
    number={7}, journal={Polymer Chemistry}, publisher={Royal Society of Chemistry
    (RSC)}, author={Rodin, Maksim and Helle, David and Kuckling, Dirk}, year={2024},
    pages={661–679} }'
  chicago: 'Rodin, Maksim, David Helle, and Dirk Kuckling. “Pillar[5]Arene-Based Dually
    Crosslinked Supramolecular Gel as a Sensor for the Detection of Adiponitrile.”
    <i>Polymer Chemistry</i> 15, no. 7 (2024): 661–79. <a href="https://doi.org/10.1039/d3py01354e">https://doi.org/10.1039/d3py01354e</a>.'
  ieee: 'M. Rodin, D. Helle, and D. Kuckling, “Pillar[5]arene-based dually crosslinked
    supramolecular gel as a sensor for the detection of adiponitrile,” <i>Polymer
    Chemistry</i>, vol. 15, no. 7, pp. 661–679, 2024, doi: <a href="https://doi.org/10.1039/d3py01354e">10.1039/d3py01354e</a>.'
  mla: Rodin, Maksim, et al. “Pillar[5]Arene-Based Dually Crosslinked Supramolecular
    Gel as a Sensor for the Detection of Adiponitrile.” <i>Polymer Chemistry</i>,
    vol. 15, no. 7, Royal Society of Chemistry (RSC), 2024, pp. 661–79, doi:<a href="https://doi.org/10.1039/d3py01354e">10.1039/d3py01354e</a>.
  short: M. Rodin, D. Helle, D. Kuckling, Polymer Chemistry 15 (2024) 661–679.
date_created: 2024-04-03T10:57:17Z
date_updated: 2024-04-03T11:03:03Z
department:
- _id: '163'
doi: 10.1039/d3py01354e
intvolume: '        15'
issue: '7'
keyword:
- Organic Chemistry
- Polymers and Plastics
- Biochemistry
- Bioengineering
language:
- iso: eng
page: 661-679
publication: Polymer Chemistry
publication_identifier:
  issn:
  - 1759-9954
  - 1759-9962
publication_status: published
publisher: Royal Society of Chemistry (RSC)
status: public
title: Pillar[5]arene-based dually crosslinked supramolecular gel as a sensor for
  the detection of adiponitrile
type: journal_article
user_id: '94'
volume: 15
year: '2024'
...
---
_id: '53621'
abstract:
- lang: eng
  text: <jats:p>The coupling of structural transitions to heat capacity changes leads
    to destabilization of macromolecules at both, elevated and lowered temperatures.
    DNA origami not only exhibit this property but also provide...</jats:p>
author:
- first_name: Daniel
  full_name: Dornbusch, Daniel
  last_name: Dornbusch
- first_name: Marcel
  full_name: Hanke, Marcel
  last_name: Hanke
- first_name: Emilia
  full_name: Tomm, Emilia
  id: '68157'
  last_name: Tomm
- first_name: Charlotte
  full_name: Kielar, Charlotte
  last_name: Kielar
- first_name: Guido
  full_name: Grundmeier, Guido
  id: '194'
  last_name: Grundmeier
- first_name: Adrian
  full_name: Keller, Adrian
  id: '48864'
  last_name: Keller
  orcid: 0000-0001-7139-3110
- first_name: Karim
  full_name: Fahmy, Karim
  last_name: Fahmy
citation:
  ama: Dornbusch D, Hanke M, Tomm E, et al. Cold denaturation of DNA origami nanostructures.
    <i>Chemical Communications</i>. Published online 2024. doi:<a href="https://doi.org/10.1039/d3cc05985e">10.1039/d3cc05985e</a>
  apa: Dornbusch, D., Hanke, M., Tomm, E., Kielar, C., Grundmeier, G., Keller, A.,
    &#38; Fahmy, K. (2024). Cold denaturation of DNA origami nanostructures. <i>Chemical
    Communications</i>. <a href="https://doi.org/10.1039/d3cc05985e">https://doi.org/10.1039/d3cc05985e</a>
  bibtex: '@article{Dornbusch_Hanke_Tomm_Kielar_Grundmeier_Keller_Fahmy_2024, title={Cold
    denaturation of DNA origami nanostructures}, DOI={<a href="https://doi.org/10.1039/d3cc05985e">10.1039/d3cc05985e</a>},
    journal={Chemical Communications}, publisher={Royal Society of Chemistry (RSC)},
    author={Dornbusch, Daniel and Hanke, Marcel and Tomm, Emilia and Kielar, Charlotte
    and Grundmeier, Guido and Keller, Adrian and Fahmy, Karim}, year={2024} }'
  chicago: Dornbusch, Daniel, Marcel Hanke, Emilia Tomm, Charlotte Kielar, Guido Grundmeier,
    Adrian Keller, and Karim Fahmy. “Cold Denaturation of DNA Origami Nanostructures.”
    <i>Chemical Communications</i>, 2024. <a href="https://doi.org/10.1039/d3cc05985e">https://doi.org/10.1039/d3cc05985e</a>.
  ieee: 'D. Dornbusch <i>et al.</i>, “Cold denaturation of DNA origami nanostructures,”
    <i>Chemical Communications</i>, 2024, doi: <a href="https://doi.org/10.1039/d3cc05985e">10.1039/d3cc05985e</a>.'
  mla: Dornbusch, Daniel, et al. “Cold Denaturation of DNA Origami Nanostructures.”
    <i>Chemical Communications</i>, Royal Society of Chemistry (RSC), 2024, doi:<a
    href="https://doi.org/10.1039/d3cc05985e">10.1039/d3cc05985e</a>.
  short: D. Dornbusch, M. Hanke, E. Tomm, C. Kielar, G. Grundmeier, A. Keller, K.
    Fahmy, Chemical Communications (2024).
date_created: 2024-04-23T08:20:05Z
date_updated: 2024-04-23T08:21:05Z
department:
- _id: '302'
doi: 10.1039/d3cc05985e
keyword:
- Materials Chemistry
- Metals and Alloys
- Surfaces
- Coatings and Films
- General Chemistry
- Ceramics and Composites
- Electronic
- Optical and Magnetic Materials
- Catalysis
language:
- iso: eng
publication: Chemical Communications
publication_identifier:
  issn:
  - 1359-7345
  - 1364-548X
publication_status: published
publisher: Royal Society of Chemistry (RSC)
status: public
title: Cold denaturation of DNA origami nanostructures
type: journal_article
user_id: '48864'
year: '2024'
...
---
_id: '52388'
author:
- first_name: Julia
  full_name: Riese, Julia
  id: '101499'
  last_name: Riese
  orcid: 0000-0002-3053-0534
- first_name: Henrik
  full_name: Fasel, Henrik
  last_name: Fasel
- first_name: Maik
  full_name: Pannok, Maik
  last_name: Pannok
- first_name: Stefan
  full_name: Lier, Stefan
  last_name: Lier
citation:
  ama: Riese J, Fasel H, Pannok M, Lier S. Decentralized production concepts for bio-based
    polymers - implications for supply chains, costs, and the carbon footprint. <i>Sustainable
    Production and Consumption</i>. Published online 2024. doi:<a href="https://doi.org/10.1016/j.spc.2024.03.001">10.1016/j.spc.2024.03.001</a>
  apa: Riese, J., Fasel, H., Pannok, M., &#38; Lier, S. (2024). Decentralized production
    concepts for bio-based polymers - implications for supply chains, costs, and the
    carbon footprint. <i>Sustainable Production and Consumption</i>. <a href="https://doi.org/10.1016/j.spc.2024.03.001">https://doi.org/10.1016/j.spc.2024.03.001</a>
  bibtex: '@article{Riese_Fasel_Pannok_Lier_2024, title={Decentralized production
    concepts for bio-based polymers - implications for supply chains, costs, and the
    carbon footprint}, DOI={<a href="https://doi.org/10.1016/j.spc.2024.03.001">10.1016/j.spc.2024.03.001</a>},
    journal={Sustainable Production and Consumption}, publisher={Elsevier BV}, author={Riese,
    Julia and Fasel, Henrik and Pannok, Maik and Lier, Stefan}, year={2024} }'
  chicago: Riese, Julia, Henrik Fasel, Maik Pannok, and Stefan Lier. “Decentralized
    Production Concepts for Bio-Based Polymers - Implications for Supply Chains, Costs,
    and the Carbon Footprint.” <i>Sustainable Production and Consumption</i>, 2024.
    <a href="https://doi.org/10.1016/j.spc.2024.03.001">https://doi.org/10.1016/j.spc.2024.03.001</a>.
  ieee: 'J. Riese, H. Fasel, M. Pannok, and S. Lier, “Decentralized production concepts
    for bio-based polymers - implications for supply chains, costs, and the carbon
    footprint,” <i>Sustainable Production and Consumption</i>, 2024, doi: <a href="https://doi.org/10.1016/j.spc.2024.03.001">10.1016/j.spc.2024.03.001</a>.'
  mla: Riese, Julia, et al. “Decentralized Production Concepts for Bio-Based Polymers
    - Implications for Supply Chains, Costs, and the Carbon Footprint.” <i>Sustainable
    Production and Consumption</i>, Elsevier BV, 2024, doi:<a href="https://doi.org/10.1016/j.spc.2024.03.001">10.1016/j.spc.2024.03.001</a>.
  short: J. Riese, H. Fasel, M. Pannok, S. Lier, Sustainable Production and Consumption
    (2024).
date_created: 2024-03-08T11:28:26Z
date_updated: 2024-10-22T09:54:40Z
department:
- _id: '831'
doi: 10.1016/j.spc.2024.03.001
keyword:
- Industrial and Manufacturing Engineering
- Renewable Energy
- Sustainability and the Environment
- Environmental Chemistry
- Environmental Engineering
language:
- iso: eng
publication: Sustainable Production and Consumption
publication_identifier:
  issn:
  - 2352-5509
publication_status: published
publisher: Elsevier BV
quality_controlled: '1'
status: public
title: Decentralized production concepts for bio-based polymers - implications for
  supply chains, costs, and the carbon footprint
type: journal_article
user_id: '101499'
year: '2024'
...
---
_id: '45826'
author:
- first_name: Valerie A.
  full_name: Niemann, Valerie A.
  last_name: Niemann
- first_name: Marten
  full_name: Huck, Marten
  last_name: Huck
- first_name: Hans-Georg
  full_name: Steinrück, Hans-Georg
  id: '84268'
  last_name: Steinrück
  orcid: 0000-0001-6373-0877
- first_name: Michael F.
  full_name: Toney, Michael F.
  last_name: Toney
- first_name: William A.
  full_name: Tarpeh, William A.
  last_name: Tarpeh
- first_name: Sharon E.
  full_name: Bone, Sharon E.
  last_name: Bone
citation:
  ama: Niemann VA, Huck M, Steinrück H-G, Toney MF, Tarpeh WA, Bone SE. X-ray Absorption
    Spectroscopy Reveals Mechanisms of Calcium and Silicon Fouling on Reverse Osmosis
    Membranes Used in Wastewater Reclamation. <i>ACS ES&#38;T Water</i>. 2023;3:2627-2637.
    doi:<a href="https://doi.org/10.1021/acsestwater.3c00144">10.1021/acsestwater.3c00144</a>
  apa: Niemann, V. A., Huck, M., Steinrück, H.-G., Toney, M. F., Tarpeh, W. A., &#38;
    Bone, S. E. (2023). X-ray Absorption Spectroscopy Reveals Mechanisms of Calcium
    and Silicon Fouling on Reverse Osmosis Membranes Used in Wastewater Reclamation.
    <i>ACS ES&#38;T Water</i>, <i>3</i>, 2627–2637. <a href="https://doi.org/10.1021/acsestwater.3c00144">https://doi.org/10.1021/acsestwater.3c00144</a>
  bibtex: '@article{Niemann_Huck_Steinrück_Toney_Tarpeh_Bone_2023, title={X-ray Absorption
    Spectroscopy Reveals Mechanisms of Calcium and Silicon Fouling on Reverse Osmosis
    Membranes Used in Wastewater Reclamation}, volume={3}, DOI={<a href="https://doi.org/10.1021/acsestwater.3c00144">10.1021/acsestwater.3c00144</a>},
    journal={ACS ES&#38;T Water}, publisher={American Chemical Society (ACS)}, author={Niemann,
    Valerie A. and Huck, Marten and Steinrück, Hans-Georg and Toney, Michael F. and
    Tarpeh, William A. and Bone, Sharon E.}, year={2023}, pages={2627–2637} }'
  chicago: 'Niemann, Valerie A., Marten Huck, Hans-Georg Steinrück, Michael F. Toney,
    William A. Tarpeh, and Sharon E. Bone. “X-Ray Absorption Spectroscopy Reveals
    Mechanisms of Calcium and Silicon Fouling on Reverse Osmosis Membranes Used in
    Wastewater Reclamation.” <i>ACS ES&#38;T Water</i> 3 (2023): 2627–37. <a href="https://doi.org/10.1021/acsestwater.3c00144">https://doi.org/10.1021/acsestwater.3c00144</a>.'
  ieee: 'V. A. Niemann, M. Huck, H.-G. Steinrück, M. F. Toney, W. A. Tarpeh, and S.
    E. Bone, “X-ray Absorption Spectroscopy Reveals Mechanisms of Calcium and Silicon
    Fouling on Reverse Osmosis Membranes Used in Wastewater Reclamation,” <i>ACS ES&#38;T
    Water</i>, vol. 3, pp. 2627–2637, 2023, doi: <a href="https://doi.org/10.1021/acsestwater.3c00144">10.1021/acsestwater.3c00144</a>.'
  mla: Niemann, Valerie A., et al. “X-Ray Absorption Spectroscopy Reveals Mechanisms
    of Calcium and Silicon Fouling on Reverse Osmosis Membranes Used in Wastewater
    Reclamation.” <i>ACS ES&#38;T Water</i>, vol. 3, American Chemical Society (ACS),
    2023, pp. 2627–37, doi:<a href="https://doi.org/10.1021/acsestwater.3c00144">10.1021/acsestwater.3c00144</a>.
  short: V.A. Niemann, M. Huck, H.-G. Steinrück, M.F. Toney, W.A. Tarpeh, S.E. Bone,
    ACS ES&#38;T Water 3 (2023) 2627–2637.
date_created: 2023-07-01T15:47:46Z
date_updated: 2023-10-03T09:11:14Z
department:
- _id: '633'
doi: 10.1021/acsestwater.3c00144
intvolume: '         3'
keyword:
- Water Science and Technology
- Environmental Chemistry
- Chemistry (miscellaneous)
- Chemical Engineering (miscellaneous)
language:
- iso: eng
page: 2627-2637
publication: ACS ES&T Water
publication_identifier:
  issn:
  - 2690-0637
  - 2690-0637
publication_status: published
publisher: American Chemical Society (ACS)
status: public
title: X-ray Absorption Spectroscopy Reveals Mechanisms of Calcium and Silicon Fouling
  on Reverse Osmosis Membranes Used in Wastewater Reclamation
type: journal_article
user_id: '84268'
volume: 3
year: '2023'
...
---
_id: '47589'
author:
- first_name: Felix
  full_name: Krämer, Felix
  last_name: Krämer
- first_name: Jan
  full_name: Paradies, Jan
  id: '53339'
  last_name: Paradies
  orcid: 0000-0002-3698-668X
- first_name: Israel
  full_name: Fernández, Israel
  last_name: Fernández
- first_name: Frank
  full_name: Breher, Frank
  last_name: Breher
citation:
  ama: Krämer F, Paradies J, Fernández I, Breher F. A crystalline aluminium–carbon-based
    ambiphile capable of activation and catalytic transfer of ammonia in non-aqueous
    media. <i>Nature Chemistry</i>. Published online 2023. doi:<a href="https://doi.org/10.1038/s41557-023-01340-9">10.1038/s41557-023-01340-9</a>
  apa: Krämer, F., Paradies, J., Fernández, I., &#38; Breher, F. (2023). A crystalline
    aluminium–carbon-based ambiphile capable of activation and catalytic transfer
    of ammonia in non-aqueous media. <i>Nature Chemistry</i>. <a href="https://doi.org/10.1038/s41557-023-01340-9">https://doi.org/10.1038/s41557-023-01340-9</a>
  bibtex: '@article{Krämer_Paradies_Fernández_Breher_2023, title={A crystalline aluminium–carbon-based
    ambiphile capable of activation and catalytic transfer of ammonia in non-aqueous
    media}, DOI={<a href="https://doi.org/10.1038/s41557-023-01340-9">10.1038/s41557-023-01340-9</a>},
    journal={Nature Chemistry}, publisher={Springer Science and Business Media LLC},
    author={Krämer, Felix and Paradies, Jan and Fernández, Israel and Breher, Frank},
    year={2023} }'
  chicago: Krämer, Felix, Jan Paradies, Israel Fernández, and Frank Breher. “A Crystalline
    Aluminium–Carbon-Based Ambiphile Capable of Activation and Catalytic Transfer
    of Ammonia in Non-Aqueous Media.” <i>Nature Chemistry</i>, 2023. <a href="https://doi.org/10.1038/s41557-023-01340-9">https://doi.org/10.1038/s41557-023-01340-9</a>.
  ieee: 'F. Krämer, J. Paradies, I. Fernández, and F. Breher, “A crystalline aluminium–carbon-based
    ambiphile capable of activation and catalytic transfer of ammonia in non-aqueous
    media,” <i>Nature Chemistry</i>, 2023, doi: <a href="https://doi.org/10.1038/s41557-023-01340-9">10.1038/s41557-023-01340-9</a>.'
  mla: Krämer, Felix, et al. “A Crystalline Aluminium–Carbon-Based Ambiphile Capable
    of Activation and Catalytic Transfer of Ammonia in Non-Aqueous Media.” <i>Nature
    Chemistry</i>, Springer Science and Business Media LLC, 2023, doi:<a href="https://doi.org/10.1038/s41557-023-01340-9">10.1038/s41557-023-01340-9</a>.
  short: F. Krämer, J. Paradies, I. Fernández, F. Breher, Nature Chemistry (2023).
date_created: 2023-10-04T14:40:07Z
date_updated: 2023-10-04T14:41:12Z
department:
- _id: '2'
- _id: '389'
doi: 10.1038/s41557-023-01340-9
keyword:
- General Chemical Engineering
- General Chemistry
language:
- iso: eng
publication: Nature Chemistry
publication_identifier:
  issn:
  - 1755-4330
  - 1755-4349
publication_status: published
publisher: Springer Science and Business Media LLC
status: public
title: A crystalline aluminium–carbon-based ambiphile capable of activation and catalytic
  transfer of ammonia in non-aqueous media
type: journal_article
user_id: '53339'
year: '2023'
...
---
_id: '47992'
abstract:
- lang: eng
  text: Ferroelectric domain boundaries are quasi-two-dimensional functional interfaces
    with high prospects for nanoelectronic applications. Despite their reduced dimensionality,
    they can exhibit complex non-Ising polarization configurations and unexpected
    physical properties. Here, the impact of the three-dimensional (3D) curvature
    on the polarization profile of nominally uncharged 180° domain walls in LiNbO3
    is studied using second-harmonic generation microscopy and 3D polarimetry analysis.
    Correlations between the domain-wall curvature and the variation of its internal
    polarization unfold in the form of modulations of the Néel-like character, which
    we attribute to the flexoelectric effect. While the Néel-like character originates
    mainly from the tilting of the domain wall, the internal polarization adjusts
    its orientation due to the synergetic upshot of dipolar and monopolar bound charges
    and their variation with the 3D curvature. Our results show that curved interfaces
    in solid crystals may offer a rich playground for tailoring nanoscale polar states.
article_type: original
author:
- first_name: Ulises
  full_name: Acevedo-Salas, Ulises
  last_name: Acevedo-Salas
- first_name: Boris
  full_name: Croes, Boris
  last_name: Croes
- first_name: Yide
  full_name: Zhang, Yide
  last_name: Zhang
- first_name: Olivier
  full_name: Cregut, Olivier
  last_name: Cregut
- first_name: Kokou Dodzi
  full_name: Dorkenoo, Kokou Dodzi
  last_name: Dorkenoo
- first_name: Benjamin
  full_name: Kirbus, Benjamin
  last_name: Kirbus
- first_name: Ekta
  full_name: Singh, Ekta
  last_name: Singh
- first_name: Henrik
  full_name: Beccard, Henrik
  last_name: Beccard
- first_name: Michael
  full_name: Rüsing, Michael
  id: '22501'
  last_name: Rüsing
  orcid: 0000-0003-4682-4577
- first_name: Lukas M.
  full_name: Eng, Lukas M.
  last_name: Eng
- first_name: Riccardo
  full_name: Hertel, Riccardo
  last_name: Hertel
- first_name: Eugene A.
  full_name: Eliseev, Eugene A.
  last_name: Eliseev
- first_name: Anna N.
  full_name: Morozovska, Anna N.
  last_name: Morozovska
- first_name: Salia
  full_name: Cherifi-Hertel, Salia
  last_name: Cherifi-Hertel
citation:
  ama: Acevedo-Salas U, Croes B, Zhang Y, et al. Impact of 3D Curvature on the Polarization
    Orientation in Non-Ising Domain Walls. <i>Nano Letters</i>. 2023;23(3):795-803.
    doi:<a href="https://doi.org/10.1021/acs.nanolett.2c03579">10.1021/acs.nanolett.2c03579</a>
  apa: Acevedo-Salas, U., Croes, B., Zhang, Y., Cregut, O., Dorkenoo, K. D., Kirbus,
    B., Singh, E., Beccard, H., Rüsing, M., Eng, L. M., Hertel, R., Eliseev, E. A.,
    Morozovska, A. N., &#38; Cherifi-Hertel, S. (2023). Impact of 3D Curvature on
    the Polarization Orientation in Non-Ising Domain Walls. <i>Nano Letters</i>, <i>23</i>(3),
    795–803. <a href="https://doi.org/10.1021/acs.nanolett.2c03579">https://doi.org/10.1021/acs.nanolett.2c03579</a>
  bibtex: '@article{Acevedo-Salas_Croes_Zhang_Cregut_Dorkenoo_Kirbus_Singh_Beccard_Rüsing_Eng_et
    al._2023, title={Impact of 3D Curvature on the Polarization Orientation in Non-Ising
    Domain Walls}, volume={23}, DOI={<a href="https://doi.org/10.1021/acs.nanolett.2c03579">10.1021/acs.nanolett.2c03579</a>},
    number={3}, journal={Nano Letters}, publisher={American Chemical Society (ACS)},
    author={Acevedo-Salas, Ulises and Croes, Boris and Zhang, Yide and Cregut, Olivier
    and Dorkenoo, Kokou Dodzi and Kirbus, Benjamin and Singh, Ekta and Beccard, Henrik
    and Rüsing, Michael and Eng, Lukas M. and et al.}, year={2023}, pages={795–803}
    }'
  chicago: 'Acevedo-Salas, Ulises, Boris Croes, Yide Zhang, Olivier Cregut, Kokou
    Dodzi Dorkenoo, Benjamin Kirbus, Ekta Singh, et al. “Impact of 3D Curvature on
    the Polarization Orientation in Non-Ising Domain Walls.” <i>Nano Letters</i> 23,
    no. 3 (2023): 795–803. <a href="https://doi.org/10.1021/acs.nanolett.2c03579">https://doi.org/10.1021/acs.nanolett.2c03579</a>.'
  ieee: 'U. Acevedo-Salas <i>et al.</i>, “Impact of 3D Curvature on the Polarization
    Orientation in Non-Ising Domain Walls,” <i>Nano Letters</i>, vol. 23, no. 3, pp.
    795–803, 2023, doi: <a href="https://doi.org/10.1021/acs.nanolett.2c03579">10.1021/acs.nanolett.2c03579</a>.'
  mla: Acevedo-Salas, Ulises, et al. “Impact of 3D Curvature on the Polarization Orientation
    in Non-Ising Domain Walls.” <i>Nano Letters</i>, vol. 23, no. 3, American Chemical
    Society (ACS), 2023, pp. 795–803, doi:<a href="https://doi.org/10.1021/acs.nanolett.2c03579">10.1021/acs.nanolett.2c03579</a>.
  short: U. Acevedo-Salas, B. Croes, Y. Zhang, O. Cregut, K.D. Dorkenoo, B. Kirbus,
    E. Singh, H. Beccard, M. Rüsing, L.M. Eng, R. Hertel, E.A. Eliseev, A.N. Morozovska,
    S. Cherifi-Hertel, Nano Letters 23 (2023) 795–803.
date_created: 2023-10-11T09:06:05Z
date_updated: 2023-10-11T09:06:31Z
doi: 10.1021/acs.nanolett.2c03579
extern: '1'
intvolume: '        23'
issue: '3'
keyword:
- Mechanical Engineering
- Condensed Matter Physics
- General Materials Science
- General Chemistry
- Bioengineering
language:
- iso: eng
page: 795-803
publication: Nano Letters
publication_identifier:
  issn:
  - 1530-6984
  - 1530-6992
publication_status: published
publisher: American Chemical Society (ACS)
quality_controlled: '1'
status: public
title: Impact of 3D Curvature on the Polarization Orientation in Non-Ising Domain
  Walls
type: journal_article
user_id: '22501'
volume: 23
year: '2023'
...