---
_id: '40433'
author:
- 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: Dong C-D, Schumacher S. Microscopic Insights into Charge Formation and Energetics
in n-Doped Organic Semiconductors. The Journal of Physical Chemistry C.
2021;125(40):21824-21830. doi:10.1021/acs.jpcc.1c05666
apa: Dong, C.-D., & Schumacher, S. (2021). Microscopic Insights into Charge
Formation and Energetics in n-Doped Organic Semiconductors. The Journal of
Physical Chemistry C, 125(40), 21824–21830. https://doi.org/10.1021/acs.jpcc.1c05666
bibtex: '@article{Dong_Schumacher_2021, title={Microscopic Insights into Charge
Formation and Energetics in n-Doped Organic Semiconductors}, volume={125}, DOI={10.1021/acs.jpcc.1c05666},
number={40}, journal={The Journal of Physical Chemistry C}, publisher={American
Chemical Society (ACS)}, author={Dong, Chuan-Ding and Schumacher, Stefan}, year={2021},
pages={21824–21830} }'
chicago: 'Dong, Chuan-Ding, and Stefan Schumacher. “Microscopic Insights into Charge
Formation and Energetics in N-Doped Organic Semiconductors.” The Journal of
Physical Chemistry C 125, no. 40 (2021): 21824–30. https://doi.org/10.1021/acs.jpcc.1c05666.'
ieee: 'C.-D. Dong and S. Schumacher, “Microscopic Insights into Charge Formation
and Energetics in n-Doped Organic Semiconductors,” The Journal of Physical
Chemistry C, vol. 125, no. 40, pp. 21824–21830, 2021, doi: 10.1021/acs.jpcc.1c05666.'
mla: Dong, Chuan-Ding, and Stefan Schumacher. “Microscopic Insights into Charge
Formation and Energetics in N-Doped Organic Semiconductors.” The Journal of
Physical Chemistry C, vol. 125, no. 40, American Chemical Society (ACS), 2021,
pp. 21824–30, doi:10.1021/acs.jpcc.1c05666.
short: C.-D. Dong, S. Schumacher, The Journal of Physical Chemistry C 125 (2021)
21824–21830.
date_created: 2023-01-26T15:49:13Z
date_updated: 2025-12-16T11:17:39Z
department:
- _id: '15'
- _id: '170'
- _id: '297'
- _id: '230'
- _id: '35'
- _id: '27'
doi: 10.1021/acs.jpcc.1c05666
intvolume: ' 125'
issue: '40'
keyword:
- Surfaces
- Coatings and Films
- Physical and Theoretical Chemistry
- General Energy
- Electronic
- Optical and Magnetic Materials
language:
- iso: eng
page: 21824-21830
project:
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
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: Microscopic Insights into Charge Formation and Energetics in n-Doped Organic
Semiconductors
type: journal_article
user_id: '16199'
volume: 125
year: '2021'
...
---
_id: '20496'
author:
- first_name: Martin
full_name: Streiter, Martin
last_name: Streiter
- first_name: Tillmann G.
full_name: Fischer, Tillmann G.
last_name: Fischer
- first_name: Christian
full_name: Wiebeler, Christian
last_name: Wiebeler
- first_name: Sebastian
full_name: Reichert, Sebastian
last_name: Reichert
- first_name: Jörn
full_name: Langenickel, Jörn
last_name: Langenickel
- first_name: Kirsten
full_name: Zeitler, Kirsten
last_name: Zeitler
- first_name: Carsten
full_name: Deibel, Carsten
last_name: Deibel
citation:
ama: Streiter M, Fischer TG, Wiebeler C, et al. Impact of Chlorine on the Internal
Transition Rates and Excited States of the Thermally Delayed Activated Fluorescence
Molecule 3CzClIPN. The Journal of Physical Chemistry C. 2020:15007-15014.
doi:10.1021/acs.jpcc.0c03341
apa: Streiter, M., Fischer, T. G., Wiebeler, C., Reichert, S., Langenickel, J.,
Zeitler, K., & Deibel, C. (2020). Impact of Chlorine on the Internal Transition
Rates and Excited States of the Thermally Delayed Activated Fluorescence Molecule
3CzClIPN. The Journal of Physical Chemistry C, 15007–15014. https://doi.org/10.1021/acs.jpcc.0c03341
bibtex: '@article{Streiter_Fischer_Wiebeler_Reichert_Langenickel_Zeitler_Deibel_2020,
title={Impact of Chlorine on the Internal Transition Rates and Excited States
of the Thermally Delayed Activated Fluorescence Molecule 3CzClIPN}, DOI={10.1021/acs.jpcc.0c03341},
journal={The Journal of Physical Chemistry C}, author={Streiter, Martin and Fischer,
Tillmann G. and Wiebeler, Christian and Reichert, Sebastian and Langenickel, Jörn
and Zeitler, Kirsten and Deibel, Carsten}, year={2020}, pages={15007–15014} }'
chicago: Streiter, Martin, Tillmann G. Fischer, Christian Wiebeler, Sebastian Reichert,
Jörn Langenickel, Kirsten Zeitler, and Carsten Deibel. “Impact of Chlorine on
the Internal Transition Rates and Excited States of the Thermally Delayed Activated
Fluorescence Molecule 3CzClIPN.” The Journal of Physical Chemistry C, 2020,
15007–14. https://doi.org/10.1021/acs.jpcc.0c03341.
ieee: M. Streiter et al., “Impact of Chlorine on the Internal Transition
Rates and Excited States of the Thermally Delayed Activated Fluorescence Molecule
3CzClIPN,” The Journal of Physical Chemistry C, pp. 15007–15014, 2020.
mla: Streiter, Martin, et al. “Impact of Chlorine on the Internal Transition Rates
and Excited States of the Thermally Delayed Activated Fluorescence Molecule 3CzClIPN.”
The Journal of Physical Chemistry C, 2020, pp. 15007–14, doi:10.1021/acs.jpcc.0c03341.
short: M. Streiter, T.G. Fischer, C. Wiebeler, S. Reichert, J. Langenickel, K. Zeitler,
C. Deibel, The Journal of Physical Chemistry C (2020) 15007–15014.
date_created: 2020-11-25T07:19:15Z
date_updated: 2022-01-06T06:54:27Z
doi: 10.1021/acs.jpcc.0c03341
keyword:
- pc2-ressources
language:
- iso: eng
page: 15007-15014
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: The Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
- 1932-7455
publication_status: published
status: public
title: Impact of Chlorine on the Internal Transition Rates and Excited States of the
Thermally Delayed Activated Fluorescence Molecule 3CzClIPN
type: journal_article
user_id: '61189'
year: '2020'
...
---
_id: '17066'
author:
- first_name: Hazem
full_name: Aldahhak, Hazem
last_name: Aldahhak
- first_name: Paulina
full_name: Powroźnik, Paulina
last_name: Powroźnik
- first_name: Piotr
full_name: Pander, Piotr
last_name: Pander
- first_name: Wiesław
full_name: Jakubik, Wiesław
last_name: Jakubik
- first_name: Fernando B.
full_name: Dias, Fernando B.
last_name: Dias
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
- first_name: Uwe
full_name: Gerstmann, Uwe
id: '171'
last_name: Gerstmann
orcid: 0000-0002-4476-223X
- first_name: Maciej
full_name: Krzywiecki, Maciej
last_name: Krzywiecki
citation:
ama: 'Aldahhak H, Powroźnik P, Pander P, et al. Toward Efficient Toxic-Gas Detectors:
Exploring Molecular Interactions of Sarin and Dimethyl Methylphosphonate with
Metal-Centered Phthalocyanine Structures. The Journal of Physical Chemistry
C. 2020;(124):6090-6102. doi:10.1021/acs.jpcc.9b11116'
apa: 'Aldahhak, H., Powroźnik, P., Pander, P., Jakubik, W., Dias, F. B., Schmidt,
W. G., Gerstmann, U., & Krzywiecki, M. (2020). Toward Efficient Toxic-Gas
Detectors: Exploring Molecular Interactions of Sarin and Dimethyl Methylphosphonate
with Metal-Centered Phthalocyanine Structures. The Journal of Physical Chemistry
C, 124, 6090–6102. https://doi.org/10.1021/acs.jpcc.9b11116'
bibtex: '@article{Aldahhak_Powroźnik_Pander_Jakubik_Dias_Schmidt_Gerstmann_Krzywiecki_2020,
title={Toward Efficient Toxic-Gas Detectors: Exploring Molecular Interactions
of Sarin and Dimethyl Methylphosphonate with Metal-Centered Phthalocyanine Structures},
DOI={10.1021/acs.jpcc.9b11116},
number={124}, journal={The Journal of Physical Chemistry C}, author={Aldahhak,
Hazem and Powroźnik, Paulina and Pander, Piotr and Jakubik, Wiesław and Dias,
Fernando B. and Schmidt, Wolf Gero and Gerstmann, Uwe and Krzywiecki, Maciej},
year={2020}, pages={6090–6102} }'
chicago: 'Aldahhak, Hazem, Paulina Powroźnik, Piotr Pander, Wiesław Jakubik, Fernando
B. Dias, Wolf Gero Schmidt, Uwe Gerstmann, and Maciej Krzywiecki. “Toward Efficient
Toxic-Gas Detectors: Exploring Molecular Interactions of Sarin and Dimethyl Methylphosphonate
with Metal-Centered Phthalocyanine Structures.” The Journal of Physical Chemistry
C, no. 124 (2020): 6090–6102. https://doi.org/10.1021/acs.jpcc.9b11116.'
ieee: 'H. Aldahhak et al., “Toward Efficient Toxic-Gas Detectors: Exploring
Molecular Interactions of Sarin and Dimethyl Methylphosphonate with Metal-Centered
Phthalocyanine Structures,” The Journal of Physical Chemistry C, no. 124,
pp. 6090–6102, 2020, doi: 10.1021/acs.jpcc.9b11116.'
mla: 'Aldahhak, Hazem, et al. “Toward Efficient Toxic-Gas Detectors: Exploring Molecular
Interactions of Sarin and Dimethyl Methylphosphonate with Metal-Centered Phthalocyanine
Structures.” The Journal of Physical Chemistry C, no. 124, 2020, pp. 6090–102,
doi:10.1021/acs.jpcc.9b11116.'
short: H. Aldahhak, P. Powroźnik, P. Pander, W. Jakubik, F.B. Dias, W.G. Schmidt,
U. Gerstmann, M. Krzywiecki, The Journal of Physical Chemistry C (2020) 6090–6102.
date_created: 2020-05-29T09:51:10Z
date_updated: 2023-04-20T16:07:15Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '230'
- _id: '35'
- _id: '790'
doi: 10.1021/acs.jpcc.9b11116
issue: '124'
language:
- iso: eng
page: 6090-6102
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: The Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
- 1932-7455
publication_status: published
status: public
title: 'Toward Efficient Toxic-Gas Detectors: Exploring Molecular Interactions of
Sarin and Dimethyl Methylphosphonate with Metal-Centered Phthalocyanine Structures'
type: journal_article
user_id: '16199'
year: '2020'
...
---
_id: '63976'
abstract:
- lang: eng
text: Mesoporous silica materials (SBA-15) with surfaces modified with aminopropyltriethoxysilane
(APTES) of two different surface coverages were synthesized, and their structural
pore characteristics were analyzed. These two mesoporous silica materials were
impregnated with various solutions of radicals in a nonionic surfactant solvent.
Differential scanning calorimetry (DSC) analysis of the impregnated mesoporous
silica materials confirmed that the surfactant solutions were confined into the
pores. Dynamic nuclear polarization (DNP)-enhanced solid-state 13C magic-angle
spinning (MAS) NMR spectra recorded for these impregnated mesoporous silica materials
showed the presence of superimposed spectra from direct and indirect channel polarization
transfer processes not only for the confined surfactant solvent but also for the
APTES surface modification. The observation of the indirect channel resonances
implies that the surfactant solvents as well as the APTES exhibit molecular motions
with correlation times on the order of or faster than the inverse Larmor frequency.
Such motions are unexpected at the experimental temperature conditions of ∼120
K in particular for the immobilized APTES. Spectral line widths and intensities
of the observed 13C MAS NMR spectra were sensitive to the specific combination
of the radical, surfactant solvent, and APTES surface coverage. One particular
combination showed identical widths and intensities for the direct and the oppositely
phased indirect channel resonances, resulting in a blank spectrum. The differences
in line widths and intensities are discussed with respect to the structural organization
of the polarizing agent and surfactant within the pores and the complex interplay
of intermolecular interactions between these constituents.
author:
- first_name: Markus M.
full_name: Hoffmann, Markus M.
last_name: Hoffmann
- first_name: Sarah
full_name: Bothe, Sarah
last_name: Bothe
- first_name: Martin
full_name: Brodrecht, Martin
last_name: Brodrecht
- first_name: Vytautas
full_name: Klimavicius, Vytautas
last_name: Klimavicius
- first_name: Nadia B.
full_name: Haro-Mares, Nadia B.
last_name: Haro-Mares
- first_name: Torsten
full_name: Gutmann, Torsten
id: '118165'
last_name: Gutmann
- first_name: Gerd
full_name: Buntkowsky, Gerd
last_name: Buntkowsky
citation:
ama: Hoffmann MM, Bothe S, Brodrecht M, et al. Direct and Indirect Dynamic Nuclear
Polarization Transfer Observed in Mesoporous Materials Impregnated with Nonionic
Surfactant Solutions of Polar Polarizing Agents. Journal of Physical Chemistry
C. 2020;124(9):5145–5156. doi:10.1021/acs.jpcc.9b10504
apa: Hoffmann, M. M., Bothe, S., Brodrecht, M., Klimavicius, V., Haro-Mares, N.
B., Gutmann, T., & Buntkowsky, G. (2020). Direct and Indirect Dynamic Nuclear
Polarization Transfer Observed in Mesoporous Materials Impregnated with Nonionic
Surfactant Solutions of Polar Polarizing Agents. Journal of Physical Chemistry
C, 124(9), 5145–5156. https://doi.org/10.1021/acs.jpcc.9b10504
bibtex: '@article{Hoffmann_Bothe_Brodrecht_Klimavicius_Haro-Mares_Gutmann_Buntkowsky_2020,
title={Direct and Indirect Dynamic Nuclear Polarization Transfer Observed in Mesoporous
Materials Impregnated with Nonionic Surfactant Solutions of Polar Polarizing Agents},
volume={124}, DOI={10.1021/acs.jpcc.9b10504},
number={9}, journal={Journal of Physical Chemistry C}, publisher={American Chemical
Society}, author={Hoffmann, Markus M. and Bothe, Sarah and Brodrecht, Martin and
Klimavicius, Vytautas and Haro-Mares, Nadia B. and Gutmann, Torsten and Buntkowsky,
Gerd}, year={2020}, pages={5145–5156} }'
chicago: 'Hoffmann, Markus M., Sarah Bothe, Martin Brodrecht, Vytautas Klimavicius,
Nadia B. Haro-Mares, Torsten Gutmann, and Gerd Buntkowsky. “Direct and Indirect
Dynamic Nuclear Polarization Transfer Observed in Mesoporous Materials Impregnated
with Nonionic Surfactant Solutions of Polar Polarizing Agents.” Journal of
Physical Chemistry C 124, no. 9 (2020): 5145–5156. https://doi.org/10.1021/acs.jpcc.9b10504.'
ieee: 'M. M. Hoffmann et al., “Direct and Indirect Dynamic Nuclear Polarization
Transfer Observed in Mesoporous Materials Impregnated with Nonionic Surfactant
Solutions of Polar Polarizing Agents,” Journal of Physical Chemistry C,
vol. 124, no. 9, pp. 5145–5156, 2020, doi: 10.1021/acs.jpcc.9b10504.'
mla: Hoffmann, Markus M., et al. “Direct and Indirect Dynamic Nuclear Polarization
Transfer Observed in Mesoporous Materials Impregnated with Nonionic Surfactant
Solutions of Polar Polarizing Agents.” Journal of Physical Chemistry C,
vol. 124, no. 9, American Chemical Society, 2020, pp. 5145–5156, doi:10.1021/acs.jpcc.9b10504.
short: M.M. Hoffmann, S. Bothe, M. Brodrecht, V. Klimavicius, N.B. Haro-Mares, T.
Gutmann, G. Buntkowsky, Journal of Physical Chemistry C 124 (2020) 5145–5156.
date_created: 2026-02-07T15:42:36Z
date_updated: 2026-02-17T16:17:17Z
doi: 10.1021/acs.jpcc.9b10504
extern: '1'
intvolume: ' 124'
issue: '9'
language:
- iso: eng
page: 5145–5156
publication: Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
publisher: American Chemical Society
status: public
title: Direct and Indirect Dynamic Nuclear Polarization Transfer Observed in Mesoporous
Materials Impregnated with Nonionic Surfactant Solutions of Polar Polarizing Agents
type: journal_article
user_id: '100715'
volume: 124
year: '2020'
...
---
_id: '63042'
author:
- first_name: Masiar
full_name: Sistani, Masiar
last_name: Sistani
- first_name: Maximilian G.
full_name: Bartmann, Maximilian G.
last_name: Bartmann
- first_name: Nicholas Alexander
full_name: Güsken, Nicholas Alexander
id: '112030'
last_name: Güsken
orcid: 0000-0002-4816-0666
- first_name: Rupert F.
full_name: Oulton, Rupert F.
last_name: Oulton
- first_name: Hamid
full_name: Keshmiri, Hamid
last_name: Keshmiri
- first_name: Minh Anh
full_name: Luong, Minh Anh
last_name: Luong
- first_name: Eric
full_name: Robin, Eric
last_name: Robin
- first_name: Martien I.
full_name: den Hertog, Martien I.
last_name: den Hertog
- first_name: Alois
full_name: Lugstein, Alois
last_name: Lugstein
citation:
ama: Sistani M, Bartmann MG, Güsken NA, et al. Stimulated Raman Scattering in Ge
Nanowires. The Journal of Physical Chemistry C. 2020;124(25):13872-13877.
doi:10.1021/acs.jpcc.0c02602
apa: Sistani, M., Bartmann, M. G., Güsken, N. A., Oulton, R. F., Keshmiri, H., Luong,
M. A., Robin, E., den Hertog, M. I., & Lugstein, A. (2020). Stimulated Raman
Scattering in Ge Nanowires. The Journal of Physical Chemistry C, 124(25),
13872–13877. https://doi.org/10.1021/acs.jpcc.0c02602
bibtex: '@article{Sistani_Bartmann_Güsken_Oulton_Keshmiri_Luong_Robin_den Hertog_Lugstein_2020,
title={Stimulated Raman Scattering in Ge Nanowires}, volume={124}, DOI={10.1021/acs.jpcc.0c02602},
number={25}, journal={The Journal of Physical Chemistry C}, publisher={American
Chemical Society (ACS)}, author={Sistani, Masiar and Bartmann, Maximilian G. and
Güsken, Nicholas Alexander and Oulton, Rupert F. and Keshmiri, Hamid and Luong,
Minh Anh and Robin, Eric and den Hertog, Martien I. and Lugstein, Alois}, year={2020},
pages={13872–13877} }'
chicago: 'Sistani, Masiar, Maximilian G. Bartmann, Nicholas Alexander Güsken, Rupert
F. Oulton, Hamid Keshmiri, Minh Anh Luong, Eric Robin, Martien I. den Hertog,
and Alois Lugstein. “Stimulated Raman Scattering in Ge Nanowires.” The Journal
of Physical Chemistry C 124, no. 25 (2020): 13872–77. https://doi.org/10.1021/acs.jpcc.0c02602.'
ieee: 'M. Sistani et al., “Stimulated Raman Scattering in Ge Nanowires,”
The Journal of Physical Chemistry C, vol. 124, no. 25, pp. 13872–13877,
2020, doi: 10.1021/acs.jpcc.0c02602.'
mla: Sistani, Masiar, et al. “Stimulated Raman Scattering in Ge Nanowires.” The
Journal of Physical Chemistry C, vol. 124, no. 25, American Chemical Society
(ACS), 2020, pp. 13872–77, doi:10.1021/acs.jpcc.0c02602.
short: M. Sistani, M.G. Bartmann, N.A. Güsken, R.F. Oulton, H. Keshmiri, M.A. Luong,
E. Robin, M.I. den Hertog, A. Lugstein, The Journal of Physical Chemistry C 124
(2020) 13872–13877.
date_created: 2025-12-11T20:36:32Z
date_updated: 2026-01-08T16:08:10Z
department:
- _id: '623'
- _id: '15'
- _id: '230'
doi: 10.1021/acs.jpcc.0c02602
intvolume: ' 124'
issue: '25'
language:
- iso: eng
page: 13872-13877
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: Stimulated Raman Scattering in Ge Nanowires
type: journal_article
user_id: '112030'
volume: 124
year: '2020'
...
---
_id: '19504'
author:
- first_name: Chuan-Ding
full_name: Dong, Chuan-Ding
last_name: Dong
- first_name: Stefan
full_name: Schumacher, Stefan
last_name: Schumacher
citation:
ama: 'Dong C-D, Schumacher S. Molecular Doping of PCPDT–BT Copolymers: Comparison
of Molecular Complexes with and without Integer Charge Transfer. The Journal
of Physical Chemistry C. 2019:30863-30870. doi:10.1021/acs.jpcc.9b09970'
apa: 'Dong, C.-D., & Schumacher, S. (2019). Molecular Doping of PCPDT–BT Copolymers:
Comparison of Molecular Complexes with and without Integer Charge Transfer. The
Journal of Physical Chemistry C, 30863–30870. https://doi.org/10.1021/acs.jpcc.9b09970'
bibtex: '@article{Dong_Schumacher_2019, title={Molecular Doping of PCPDT–BT Copolymers:
Comparison of Molecular Complexes with and without Integer Charge Transfer}, DOI={10.1021/acs.jpcc.9b09970},
journal={The Journal of Physical Chemistry C}, author={Dong, Chuan-Ding and Schumacher,
Stefan}, year={2019}, pages={30863–30870} }'
chicago: 'Dong, Chuan-Ding, and Stefan Schumacher. “Molecular Doping of PCPDT–BT
Copolymers: Comparison of Molecular Complexes with and without Integer Charge
Transfer.” The Journal of Physical Chemistry C, 2019, 30863–70. https://doi.org/10.1021/acs.jpcc.9b09970.'
ieee: 'C.-D. Dong and S. Schumacher, “Molecular Doping of PCPDT–BT Copolymers: Comparison
of Molecular Complexes with and without Integer Charge Transfer,” The Journal
of Physical Chemistry C, pp. 30863–30870, 2019.'
mla: 'Dong, Chuan-Ding, and Stefan Schumacher. “Molecular Doping of PCPDT–BT Copolymers:
Comparison of Molecular Complexes with and without Integer Charge Transfer.” The
Journal of Physical Chemistry C, 2019, pp. 30863–70, doi:10.1021/acs.jpcc.9b09970.'
short: C.-D. Dong, S. Schumacher, The Journal of Physical Chemistry C (2019) 30863–30870.
date_created: 2020-09-17T07:43:24Z
date_updated: 2022-01-06T06:54:06Z
doi: 10.1021/acs.jpcc.9b09970
keyword:
- pc2-ressources
language:
- iso: eng
page: 30863-30870
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: The Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
- 1932-7455
publication_status: published
status: public
title: 'Molecular Doping of PCPDT–BT Copolymers: Comparison of Molecular Complexes
with and without Integer Charge Transfer'
type: journal_article
user_id: '61189'
year: '2019'
...
---
_id: '16960'
author:
- first_name: Max
full_name: Mennicken, Max
last_name: Mennicken
- first_name: Sophia Katharina
full_name: Peter, Sophia Katharina
last_name: Peter
- first_name: Corinna
full_name: Kaulen, Corinna
last_name: Kaulen
- first_name: Ulrich
full_name: Simon, Ulrich
last_name: Simon
- first_name: Silvia
full_name: Karthäuser, Silvia
last_name: Karthäuser
citation:
ama: Mennicken M, Peter SK, Kaulen C, Simon U, Karthäuser S. Controlling the Electronic
Contact at the Terpyridine/Metal Interface. The Journal of Physical Chemistry
C. 2019:21367-21375. doi:10.1021/acs.jpcc.9b05865
apa: Mennicken, M., Peter, S. K., Kaulen, C., Simon, U., & Karthäuser, S. (2019).
Controlling the Electronic Contact at the Terpyridine/Metal Interface. The
Journal of Physical Chemistry C, 21367–21375. https://doi.org/10.1021/acs.jpcc.9b05865
bibtex: '@article{Mennicken_Peter_Kaulen_Simon_Karthäuser_2019, title={Controlling
the Electronic Contact at the Terpyridine/Metal Interface}, DOI={10.1021/acs.jpcc.9b05865},
journal={The Journal of Physical Chemistry C}, author={Mennicken, Max and Peter,
Sophia Katharina and Kaulen, Corinna and Simon, Ulrich and Karthäuser, Silvia},
year={2019}, pages={21367–21375} }'
chicago: Mennicken, Max, Sophia Katharina Peter, Corinna Kaulen, Ulrich Simon, and
Silvia Karthäuser. “Controlling the Electronic Contact at the Terpyridine/Metal
Interface.” The Journal of Physical Chemistry C, 2019, 21367–75. https://doi.org/10.1021/acs.jpcc.9b05865.
ieee: M. Mennicken, S. K. Peter, C. Kaulen, U. Simon, and S. Karthäuser, “Controlling
the Electronic Contact at the Terpyridine/Metal Interface,” The Journal of
Physical Chemistry C, pp. 21367–21375, 2019.
mla: Mennicken, Max, et al. “Controlling the Electronic Contact at the Terpyridine/Metal
Interface.” The Journal of Physical Chemistry C, 2019, pp. 21367–75, doi:10.1021/acs.jpcc.9b05865.
short: M. Mennicken, S.K. Peter, C. Kaulen, U. Simon, S. Karthäuser, The Journal
of Physical Chemistry C (2019) 21367–21375.
date_created: 2020-05-15T09:38:49Z
date_updated: 2022-01-06T06:53:00Z
doi: 10.1021/acs.jpcc.9b05865
keyword:
- pc2-ressources
language:
- iso: eng
page: 21367-21375
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: The Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
- 1932-7455
publication_status: published
status: public
title: Controlling the Electronic Contact at the Terpyridine/Metal Interface
type: journal_article
user_id: '61189'
year: '2019'
...
---
_id: '15740'
author:
- first_name: Maxim
full_name: Guc, Maxim
last_name: Guc
- first_name: Tim
full_name: Kodalle, Tim
last_name: Kodalle
- first_name: Ramya
full_name: Kormath Madam Raghupathy, Ramya
id: '71692'
last_name: Kormath Madam Raghupathy
orcid: https://orcid.org/0000-0003-4667-9744
- first_name: Hossein
full_name: Mirhosseini, Hossein
last_name: Mirhosseini
- first_name: Thomas D.
full_name: Kühne, Thomas D.
last_name: Kühne
- first_name: Ignacio
full_name: Becerril-Romero, Ignacio
last_name: Becerril-Romero
- first_name: Alejandro
full_name: Pérez-Rodríguez, Alejandro
last_name: Pérez-Rodríguez
- first_name: Christian A.
full_name: Kaufmann, Christian A.
last_name: Kaufmann
- first_name: Victor
full_name: Izquierdo-Roca, Victor
last_name: Izquierdo-Roca
citation:
ama: 'Guc M, Kodalle T, Kormath Madam Raghupathy R, et al. Vibrational Properties
of RbInSe2: Raman Scattering Spectroscopy and First-Principle Calculations. The
Journal of Physical Chemistry C. 2019;124:1285-1291. doi:10.1021/acs.jpcc.9b08781'
apa: 'Guc, M., Kodalle, T., Kormath Madam Raghupathy, R., Mirhosseini, H., Kühne,
T. D., Becerril-Romero, I., … Izquierdo-Roca, V. (2019). Vibrational Properties
of RbInSe2: Raman Scattering Spectroscopy and First-Principle Calculations. The
Journal of Physical Chemistry C, 124, 1285–1291. https://doi.org/10.1021/acs.jpcc.9b08781'
bibtex: '@article{Guc_Kodalle_Kormath Madam Raghupathy_Mirhosseini_Kühne_Becerril-Romero_Pérez-Rodríguez_Kaufmann_Izquierdo-Roca_2019,
title={Vibrational Properties of RbInSe2: Raman Scattering Spectroscopy and First-Principle
Calculations}, volume={124}, DOI={10.1021/acs.jpcc.9b08781},
journal={The Journal of Physical Chemistry C}, author={Guc, Maxim and Kodalle,
Tim and Kormath Madam Raghupathy, Ramya and Mirhosseini, Hossein and Kühne, Thomas
D. and Becerril-Romero, Ignacio and Pérez-Rodríguez, Alejandro and Kaufmann, Christian
A. and Izquierdo-Roca, Victor}, year={2019}, pages={1285–1291} }'
chicago: 'Guc, Maxim, Tim Kodalle, Ramya Kormath Madam Raghupathy, Hossein Mirhosseini,
Thomas D. Kühne, Ignacio Becerril-Romero, Alejandro Pérez-Rodríguez, Christian
A. Kaufmann, and Victor Izquierdo-Roca. “Vibrational Properties of RbInSe2: Raman
Scattering Spectroscopy and First-Principle Calculations.” The Journal of Physical
Chemistry C 124 (2019): 1285–91. https://doi.org/10.1021/acs.jpcc.9b08781.'
ieee: 'M. Guc et al., “Vibrational Properties of RbInSe2: Raman Scattering
Spectroscopy and First-Principle Calculations,” The Journal of Physical Chemistry
C, vol. 124, pp. 1285–1291, 2019.'
mla: 'Guc, Maxim, et al. “Vibrational Properties of RbInSe2: Raman Scattering Spectroscopy
and First-Principle Calculations.” The Journal of Physical Chemistry C,
vol. 124, 2019, pp. 1285–91, doi:10.1021/acs.jpcc.9b08781.'
short: M. Guc, T. Kodalle, R. Kormath Madam Raghupathy, H. Mirhosseini, T.D. Kühne,
I. Becerril-Romero, A. Pérez-Rodríguez, C.A. Kaufmann, V. Izquierdo-Roca, The
Journal of Physical Chemistry C 124 (2019) 1285–1291.
date_created: 2020-01-30T13:23:09Z
date_updated: 2022-01-06T06:52:32Z
department:
- _id: '304'
doi: 10.1021/acs.jpcc.9b08781
intvolume: ' 124'
language:
- iso: eng
page: 1285-1291
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: The Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
- 1932-7455
publication_status: published
status: public
title: 'Vibrational Properties of RbInSe2: Raman Scattering Spectroscopy and First-Principle
Calculations'
type: journal_article
user_id: '71051'
volume: 124
year: '2019'
...
---
_id: '14021'
author:
- first_name: Sophia Katharina
full_name: Peter, Sophia Katharina
last_name: Peter
- first_name: Corinna
full_name: Kaulen, Corinna
last_name: Kaulen
- first_name: Alexander
full_name: Hoffmann, Alexander
last_name: Hoffmann
- first_name: Wojciech
full_name: Ogieglo, Wojciech
last_name: Ogieglo
- first_name: Silvia
full_name: Karthäuser, Silvia
last_name: Karthäuser
- first_name: Melanie
full_name: Homberger, Melanie
last_name: Homberger
- first_name: Sonja
full_name: Herres-Pawlis, Sonja
last_name: Herres-Pawlis
- first_name: Ulrich
full_name: Simon, Ulrich
last_name: Simon
citation:
ama: Peter SK, Kaulen C, Hoffmann A, et al. Stepwise Growth of Ruthenium Terpyridine
Complexes on Au Surfaces. The Journal of Physical Chemistry C. 2019;123(11):6537-6548.
doi:10.1021/acs.jpcc.8b12039
apa: Peter, S. K., Kaulen, C., Hoffmann, A., Ogieglo, W., Karthäuser, S., Homberger,
M., … Simon, U. (2019). Stepwise Growth of Ruthenium Terpyridine Complexes on
Au Surfaces. The Journal of Physical Chemistry C, 123(11), 6537–6548.
https://doi.org/10.1021/acs.jpcc.8b12039
bibtex: '@article{Peter_Kaulen_Hoffmann_Ogieglo_Karthäuser_Homberger_Herres-Pawlis_Simon_2019,
title={Stepwise Growth of Ruthenium Terpyridine Complexes on Au Surfaces}, volume={123},
DOI={10.1021/acs.jpcc.8b12039},
number={11}, journal={The Journal of Physical Chemistry C}, author={Peter, Sophia
Katharina and Kaulen, Corinna and Hoffmann, Alexander and Ogieglo, Wojciech and
Karthäuser, Silvia and Homberger, Melanie and Herres-Pawlis, Sonja and Simon,
Ulrich}, year={2019}, pages={6537–6548} }'
chicago: 'Peter, Sophia Katharina, Corinna Kaulen, Alexander Hoffmann, Wojciech
Ogieglo, Silvia Karthäuser, Melanie Homberger, Sonja Herres-Pawlis, and Ulrich
Simon. “Stepwise Growth of Ruthenium Terpyridine Complexes on Au Surfaces.” The
Journal of Physical Chemistry C 123, no. 11 (2019): 6537–48. https://doi.org/10.1021/acs.jpcc.8b12039.'
ieee: S. K. Peter et al., “Stepwise Growth of Ruthenium Terpyridine Complexes
on Au Surfaces,” The Journal of Physical Chemistry C, vol. 123, no. 11,
pp. 6537–6548, 2019.
mla: Peter, Sophia Katharina, et al. “Stepwise Growth of Ruthenium Terpyridine Complexes
on Au Surfaces.” The Journal of Physical Chemistry C, vol. 123, no. 11,
2019, pp. 6537–48, doi:10.1021/acs.jpcc.8b12039.
short: S.K. Peter, C. Kaulen, A. Hoffmann, W. Ogieglo, S. Karthäuser, M. Homberger,
S. Herres-Pawlis, U. Simon, The Journal of Physical Chemistry C 123 (2019) 6537–6548.
date_created: 2019-10-28T12:51:58Z
date_updated: 2022-01-06T06:51:52Z
doi: 10.1021/acs.jpcc.8b12039
intvolume: ' 123'
issue: '11'
language:
- iso: eng
page: 6537-6548
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: The Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
- 1932-7455
publication_status: published
status: public
title: Stepwise Growth of Ruthenium Terpyridine Complexes on Au Surfaces
type: journal_article
user_id: '40778'
volume: 123
year: '2019'
...
---
_id: '15723'
abstract:
- lang: eng
text: RbInSe2 is attracting growing interest as a secondary semiconductor compound
in Cu(In,Ga)Se2-based solar cells by virtue of the recent investigations on absorber
post-deposition treatments with alkali metal salts that have resulted in significant
efficiency improvements. However, the detection of the RbInSe2 phase on the surface
of chalcopyrite absorbers is very challenging due to its nanometric thickness
and the limited information available about its fundamental properties. In this
context, this work expounds a detailed analysis of the vibrational properties
of RbInSe2 that combines first-principle calculations with multiwavelength Raman
scattering spectroscopy and provides a methodology for the detection and identification
of very thin layers of this material employing solely optical measurements. As
a result, here, we present the classification of the different vibrational modes
together with the fingerprint Raman spectra of RbInSe2 thin films measured under
five different excitations (close to and far from resonance). The employment of
a 442 nm excitation wavelength is found to be the most adequate strategy for the
detection and characterization of the RbInSe2 phase in view of its resonance with
the band gap of the material and its low penetration depth. Additionally, the
purity of the deposited thin films as well as the possible influence of the subjacent
layers on the Raman spectra of the compound are also investigated by analyzing
the presence of secondary phases and by measuring RbInSe2 thin films deposited
onto Mo-coated soda-lime glass, respectively. These results set the basis for
the future evaluation of the suitability of Raman spectroscopy as a fast and nondestructive
characterization technique for the reliable identification and characterization
of the nanometric layers of RbInSe2 in Cu(In,Ga)Se2-based solar cells.
author:
- first_name: Maxim
full_name: Guc, Maxim
last_name: Guc
- first_name: Tim
full_name: Kodalle, Tim
last_name: Kodalle
- first_name: Ramya
full_name: Kormath Madam Raghupathy, Ramya
last_name: Kormath Madam Raghupathy
- first_name: Hossein
full_name: Mirhosseini, Hossein
id: '71051'
last_name: Mirhosseini
orcid: https://orcid.org/0000-0001-6179-1545
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
- first_name: Ignacio
full_name: Becerril-Romero, Ignacio
last_name: Becerril-Romero
- first_name: Alejandro
full_name: Pérez-Rodríguez, Alejandro
last_name: Pérez-Rodríguez
- first_name: Christian A.
full_name: Kaufmann, Christian A.
last_name: Kaufmann
- first_name: Victor
full_name: Izquierdo-Roca, Victor
last_name: Izquierdo-Roca
citation:
ama: 'Guc M, Kodalle T, Kormath Madam Raghupathy R, et al. Vibrational Properties
of RbInSe2: Raman Scattering Spectroscopy and First-Principle Calculations. The
Journal of Physical Chemistry C. Published online 2019:1285-1291. doi:10.1021/acs.jpcc.9b08781'
apa: 'Guc, M., Kodalle, T., Kormath Madam Raghupathy, R., Mirhosseini, H., Kühne,
T., Becerril-Romero, I., Pérez-Rodríguez, A., Kaufmann, C. A., & Izquierdo-Roca,
V. (2019). Vibrational Properties of RbInSe2: Raman Scattering Spectroscopy and
First-Principle Calculations. The Journal of Physical Chemistry C, 1285–1291.
https://doi.org/10.1021/acs.jpcc.9b08781'
bibtex: '@article{Guc_Kodalle_Kormath Madam Raghupathy_Mirhosseini_Kühne_Becerril-Romero_Pérez-Rodríguez_Kaufmann_Izquierdo-Roca_2019,
title={Vibrational Properties of RbInSe2: Raman Scattering Spectroscopy and First-Principle
Calculations}, DOI={10.1021/acs.jpcc.9b08781},
journal={The Journal of Physical Chemistry C}, author={Guc, Maxim and Kodalle,
Tim and Kormath Madam Raghupathy, Ramya and Mirhosseini, Hossein and Kühne, Thomas
and Becerril-Romero, Ignacio and Pérez-Rodríguez, Alejandro and Kaufmann, Christian
A. and Izquierdo-Roca, Victor}, year={2019}, pages={1285–1291} }'
chicago: 'Guc, Maxim, Tim Kodalle, Ramya Kormath Madam Raghupathy, Hossein Mirhosseini,
Thomas Kühne, Ignacio Becerril-Romero, Alejandro Pérez-Rodríguez, Christian A.
Kaufmann, and Victor Izquierdo-Roca. “Vibrational Properties of RbInSe2: Raman
Scattering Spectroscopy and First-Principle Calculations.” The Journal of Physical
Chemistry C, 2019, 1285–91. https://doi.org/10.1021/acs.jpcc.9b08781.'
ieee: 'M. Guc et al., “Vibrational Properties of RbInSe2: Raman Scattering
Spectroscopy and First-Principle Calculations,” The Journal of Physical Chemistry
C, pp. 1285–1291, 2019, doi: 10.1021/acs.jpcc.9b08781.'
mla: 'Guc, Maxim, et al. “Vibrational Properties of RbInSe2: Raman Scattering Spectroscopy
and First-Principle Calculations.” The Journal of Physical Chemistry C,
2019, pp. 1285–91, doi:10.1021/acs.jpcc.9b08781.'
short: M. Guc, T. Kodalle, R. Kormath Madam Raghupathy, H. Mirhosseini, T. Kühne,
I. Becerril-Romero, A. Pérez-Rodríguez, C.A. Kaufmann, V. Izquierdo-Roca, The
Journal of Physical Chemistry C (2019) 1285–1291.
date_created: 2020-01-30T13:06:31Z
date_updated: 2022-07-21T09:39:59Z
doi: 10.1021/acs.jpcc.9b08781
language:
- iso: eng
page: 1285-1291
publication: The Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
- 1932-7455
publication_status: published
status: public
title: 'Vibrational Properties of RbInSe2: Raman Scattering Spectroscopy and First-Principle
Calculations'
type: journal_article
user_id: '71051'
year: '2019'
...
---
_id: '25904'
abstract:
- lang: eng
text: We examined the effect of CaCl2 and LiCl on ice melting in mesoporous silica
(MCM-41 and SBA-15 silica). For that purpose, we determined the ice melting temperature
in pores of various size (pore radii between 1.9 and 11.1 nm) in water and aqueous
solutions up to high total solute molality (up to about 12 mol kg–1) using differential
scanning calorimetry. We found that both electrolytes reduce the ice melting temperature
within the pores. An exception is the melting of ice in the smallest pores, which
does not seem to be affected by the presence of solutes, most likely owing to
an exclusion of the ions from entering the pores. For all other pores, we observed
that the ice melting temperature decreases as a function of pore size and electrolyte
concentration. Using thermodynamic considerations as well as additional experimental
data we developed a parametrization that can be used to predict the ice melting
point as a function of pore size and total solute molality. For that purpose,
we extended a formulation of the effective water activity of aqueous solutions
under mechanical pressure toward its application in confinement and tested this
new parametrization on literature data.
article_type: original
author:
- first_name: Evelyn
full_name: Jantsch, Evelyn
last_name: Jantsch
- first_name: Christian
full_name: Weinberger, Christian
id: '11848'
last_name: Weinberger
- first_name: Michael
full_name: Tiemann, Michael
id: '23547'
last_name: Tiemann
orcid: 0000-0003-1711-2722
- first_name: Thomas
full_name: Koop, Thomas
last_name: Koop
citation:
ama: Jantsch E, Weinberger C, Tiemann M, Koop T. Phase Transitions of Ice in Aqueous
Salt Solutions within Nanometer-Sized Pores. The Journal of Physical Chemistry
C. Published online 2019:24566-24574. doi:10.1021/acs.jpcc.9b06527
apa: Jantsch, E., Weinberger, C., Tiemann, M., & Koop, T. (2019). Phase Transitions
of Ice in Aqueous Salt Solutions within Nanometer-Sized Pores. The Journal
of Physical Chemistry C, 24566–24574. https://doi.org/10.1021/acs.jpcc.9b06527
bibtex: '@article{Jantsch_Weinberger_Tiemann_Koop_2019, title={Phase Transitions
of Ice in Aqueous Salt Solutions within Nanometer-Sized Pores}, DOI={10.1021/acs.jpcc.9b06527},
journal={The Journal of Physical Chemistry C}, author={Jantsch, Evelyn and Weinberger,
Christian and Tiemann, Michael and Koop, Thomas}, year={2019}, pages={24566–24574}
}'
chicago: Jantsch, Evelyn, Christian Weinberger, Michael Tiemann, and Thomas Koop.
“Phase Transitions of Ice in Aqueous Salt Solutions within Nanometer-Sized Pores.”
The Journal of Physical Chemistry C, 2019, 24566–74. https://doi.org/10.1021/acs.jpcc.9b06527.
ieee: 'E. Jantsch, C. Weinberger, M. Tiemann, and T. Koop, “Phase Transitions of
Ice in Aqueous Salt Solutions within Nanometer-Sized Pores,” The Journal of
Physical Chemistry C, pp. 24566–24574, 2019, doi: 10.1021/acs.jpcc.9b06527.'
mla: Jantsch, Evelyn, et al. “Phase Transitions of Ice in Aqueous Salt Solutions
within Nanometer-Sized Pores.” The Journal of Physical Chemistry C, 2019,
pp. 24566–74, doi:10.1021/acs.jpcc.9b06527.
short: E. Jantsch, C. Weinberger, M. Tiemann, T. Koop, The Journal of Physical Chemistry
C (2019) 24566–24574.
date_created: 2021-10-08T10:41:52Z
date_updated: 2023-03-08T08:31:45Z
department:
- _id: '35'
- _id: '2'
- _id: '307'
doi: 10.1021/acs.jpcc.9b06527
language:
- iso: eng
page: 24566-24574
publication: The Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
- 1932-7455
publication_status: published
quality_controlled: '1'
status: public
title: Phase Transitions of Ice in Aqueous Salt Solutions within Nanometer-Sized Pores
type: journal_article
user_id: '23547'
year: '2019'
...
---
_id: '64038'
abstract:
- lang: eng
text: An efficient approach for the characterization of core–shell polymer hybrid
nanoparticles is presented. Selective signal amplification by dynamic nuclear
polarization (DNP) is employed to shed more light on the molecular structure of
surface sites and shell of the particles. DNP-enhanced 29Si solid-state NMR is
used to clearly prove the core–shell structure of the nanoparticles as well as
the success of their functionalization with low amounts of trimethylsiloxy groups.
By combination of DNP-enhanced 1H → 29Si and 1H → 13C cross-polarization magic-angle-spinning
experiments, differently substituted alkoxysilane moieties, namely, methacryloxypropyltriethoxysilane,
3-methacryloxypropyltriisopropoxysilane, and 3-methacryloxypropyltris(methoxyethoxy)silane,
are investigated, revealing various cross-linking capabilities of the particle
shell. This knowledge about efficiency of surface functionalization and cross-linking
sites strongly influences the application and properties of the core–shell polymer
hybrid particles, for instance, as materials for photonic crystals, particle film
formation, and coatings. This is of high importance for the design of tailor-made
core–shell particle architectures.
author:
- first_name: Timmy
full_name: Schäfer, Timmy
last_name: Schäfer
- first_name: Steffen
full_name: Vowinkel, Steffen
last_name: Vowinkel
- first_name: Hergen
full_name: Breitzke, Hergen
last_name: Breitzke
- first_name: Markus
full_name: Gallei, Markus
last_name: Gallei
- first_name: Torsten
full_name: Gutmann, Torsten
id: '118165'
last_name: Gutmann
citation:
ama: Schäfer T, Vowinkel S, Breitzke H, Gallei M, Gutmann T. Selective DNP Signal
Amplification To Probe Structures of Core–Shell Polymer Hybrid Nanoparticles.
Journal of Physical Chemistry C. 2019;123(1):644–652. doi:10.1021/acs.jpcc.8b07969
apa: Schäfer, T., Vowinkel, S., Breitzke, H., Gallei, M., & Gutmann, T. (2019).
Selective DNP Signal Amplification To Probe Structures of Core–Shell Polymer Hybrid
Nanoparticles. Journal of Physical Chemistry C, 123(1), 644–652.
https://doi.org/10.1021/acs.jpcc.8b07969
bibtex: '@article{Schäfer_Vowinkel_Breitzke_Gallei_Gutmann_2019, title={Selective
DNP Signal Amplification To Probe Structures of Core–Shell Polymer Hybrid Nanoparticles},
volume={123}, DOI={10.1021/acs.jpcc.8b07969},
number={1}, journal={Journal of Physical Chemistry C}, publisher={American Chemical
Society}, author={Schäfer, Timmy and Vowinkel, Steffen and Breitzke, Hergen and
Gallei, Markus and Gutmann, Torsten}, year={2019}, pages={644–652} }'
chicago: 'Schäfer, Timmy, Steffen Vowinkel, Hergen Breitzke, Markus Gallei, and
Torsten Gutmann. “Selective DNP Signal Amplification To Probe Structures of Core–Shell
Polymer Hybrid Nanoparticles.” Journal of Physical Chemistry C 123, no.
1 (2019): 644–652. https://doi.org/10.1021/acs.jpcc.8b07969.'
ieee: 'T. Schäfer, S. Vowinkel, H. Breitzke, M. Gallei, and T. Gutmann, “Selective
DNP Signal Amplification To Probe Structures of Core–Shell Polymer Hybrid Nanoparticles,”
Journal of Physical Chemistry C, vol. 123, no. 1, pp. 644–652, 2019, doi:
10.1021/acs.jpcc.8b07969.'
mla: Schäfer, Timmy, et al. “Selective DNP Signal Amplification To Probe Structures
of Core–Shell Polymer Hybrid Nanoparticles.” Journal of Physical Chemistry
C, vol. 123, no. 1, American Chemical Society, 2019, pp. 644–652, doi:10.1021/acs.jpcc.8b07969.
short: T. Schäfer, S. Vowinkel, H. Breitzke, M. Gallei, T. Gutmann, Journal of Physical
Chemistry C 123 (2019) 644–652.
date_created: 2026-02-07T16:08:48Z
date_updated: 2026-02-17T16:13:34Z
doi: 10.1021/acs.jpcc.8b07969
extern: '1'
intvolume: ' 123'
issue: '1'
language:
- iso: eng
page: 644–652
publication: Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
publisher: American Chemical Society
status: public
title: Selective DNP Signal Amplification To Probe Structures of Core–Shell Polymer
Hybrid Nanoparticles
type: journal_article
user_id: '100715'
volume: 123
year: '2019'
...
---
_id: '13343'
author:
- first_name: Joachim
full_name: Vollbrecht, Joachim
last_name: Vollbrecht
- first_name: Christian
full_name: Wiebeler, Christian
last_name: Wiebeler
- first_name: Harald
full_name: Bock, Harald
last_name: Bock
- first_name: Stefan
full_name: Schumacher, Stefan
id: '27271'
last_name: Schumacher
orcid: 0000-0003-4042-4951
- first_name: Heinz-Siegfried
full_name: Kitzerow, Heinz-Siegfried
id: '254'
last_name: Kitzerow
citation:
ama: 'Vollbrecht J, Wiebeler C, Bock H, Schumacher S, Kitzerow H-S. Curved Polar
Dibenzocoronene Esters and Imides versus Their Planar Centrosymmetric Homologs:
Photophysical and Optoelectronic Analysis. The Journal of Physical Chemistry
C. 2019;123(7):4483-4492. doi:10.1021/acs.jpcc.8b10730'
apa: 'Vollbrecht, J., Wiebeler, C., Bock, H., Schumacher, S., & Kitzerow, H.-S.
(2019). Curved Polar Dibenzocoronene Esters and Imides versus Their Planar Centrosymmetric
Homologs: Photophysical and Optoelectronic Analysis. The Journal of Physical
Chemistry C, 123(7), 4483–4492. https://doi.org/10.1021/acs.jpcc.8b10730'
bibtex: '@article{Vollbrecht_Wiebeler_Bock_Schumacher_Kitzerow_2019, title={Curved
Polar Dibenzocoronene Esters and Imides versus Their Planar Centrosymmetric Homologs:
Photophysical and Optoelectronic Analysis}, volume={123}, DOI={10.1021/acs.jpcc.8b10730},
number={7}, journal={The Journal of Physical Chemistry C}, author={Vollbrecht,
Joachim and Wiebeler, Christian and Bock, Harald and Schumacher, Stefan and Kitzerow,
Heinz-Siegfried}, year={2019}, pages={4483–4492} }'
chicago: 'Vollbrecht, Joachim, Christian Wiebeler, Harald Bock, Stefan Schumacher,
and Heinz-Siegfried Kitzerow. “Curved Polar Dibenzocoronene Esters and Imides
versus Their Planar Centrosymmetric Homologs: Photophysical and Optoelectronic
Analysis.” The Journal of Physical Chemistry C 123, no. 7 (2019): 4483–92.
https://doi.org/10.1021/acs.jpcc.8b10730.'
ieee: 'J. Vollbrecht, C. Wiebeler, H. Bock, S. Schumacher, and H.-S. Kitzerow, “Curved
Polar Dibenzocoronene Esters and Imides versus Their Planar Centrosymmetric Homologs:
Photophysical and Optoelectronic Analysis,” The Journal of Physical Chemistry
C, vol. 123, no. 7, pp. 4483–4492, 2019, doi: 10.1021/acs.jpcc.8b10730.'
mla: 'Vollbrecht, Joachim, et al. “Curved Polar Dibenzocoronene Esters and Imides
versus Their Planar Centrosymmetric Homologs: Photophysical and Optoelectronic
Analysis.” The Journal of Physical Chemistry C, vol. 123, no. 7, 2019,
pp. 4483–92, doi:10.1021/acs.jpcc.8b10730.'
short: J. Vollbrecht, C. Wiebeler, H. Bock, S. Schumacher, H.-S. Kitzerow, The Journal
of Physical Chemistry C 123 (2019) 4483–4492.
date_created: 2019-09-19T13:36:01Z
date_updated: 2025-12-05T14:29:56Z
department:
- _id: '15'
- _id: '170'
- _id: '297'
- _id: '313'
- _id: '230'
- _id: '35'
- _id: '27'
- _id: '2'
doi: 10.1021/acs.jpcc.8b10730
intvolume: ' 123'
issue: '7'
language:
- iso: eng
page: 4483-4492
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: The Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
- 1932-7455
publication_status: published
status: public
title: 'Curved Polar Dibenzocoronene Esters and Imides versus Their Planar Centrosymmetric
Homologs: Photophysical and Optoelectronic Analysis'
type: journal_article
user_id: '16199'
volume: 123
year: '2019'
...
---
_id: '19214'
author:
- first_name: S. V.
full_name: Badalov, S. V.
last_name: Badalov
- first_name: M.
full_name: Yagmurcukardes, M.
last_name: Yagmurcukardes
- first_name: F. M.
full_name: Peeters, F. M.
last_name: Peeters
- first_name: H.
full_name: Sahin, H.
last_name: Sahin
citation:
ama: Badalov SV, Yagmurcukardes M, Peeters FM, Sahin H. Enhanced Stability of Single-Layer
w-Gallenene through Hydrogenation. The Journal of Physical Chemistry C.
2018:28302-28309. doi:10.1021/acs.jpcc.8b07353
apa: Badalov, S. V., Yagmurcukardes, M., Peeters, F. M., & Sahin, H. (2018).
Enhanced Stability of Single-Layer w-Gallenene through Hydrogenation. The Journal
of Physical Chemistry C, 28302–28309. https://doi.org/10.1021/acs.jpcc.8b07353
bibtex: '@article{Badalov_Yagmurcukardes_Peeters_Sahin_2018, title={Enhanced Stability
of Single-Layer w-Gallenene through Hydrogenation}, DOI={10.1021/acs.jpcc.8b07353},
journal={The Journal of Physical Chemistry C}, author={Badalov, S. V. and Yagmurcukardes,
M. and Peeters, F. M. and Sahin, H.}, year={2018}, pages={28302–28309} }'
chicago: Badalov, S. V., M. Yagmurcukardes, F. M. Peeters, and H. Sahin. “Enhanced
Stability of Single-Layer w-Gallenene through Hydrogenation.” The Journal of
Physical Chemistry C, 2018, 28302–9. https://doi.org/10.1021/acs.jpcc.8b07353.
ieee: S. V. Badalov, M. Yagmurcukardes, F. M. Peeters, and H. Sahin, “Enhanced Stability
of Single-Layer w-Gallenene through Hydrogenation,” The Journal of Physical
Chemistry C, pp. 28302–28309, 2018.
mla: Badalov, S. V., et al. “Enhanced Stability of Single-Layer w-Gallenene through
Hydrogenation.” The Journal of Physical Chemistry C, 2018, pp. 28302–09,
doi:10.1021/acs.jpcc.8b07353.
short: S.V. Badalov, M. Yagmurcukardes, F.M. Peeters, H. Sahin, The Journal of Physical
Chemistry C (2018) 28302–28309.
date_created: 2020-09-09T15:53:54Z
date_updated: 2022-01-06T06:54:00Z
doi: 10.1021/acs.jpcc.8b07353
extern: '1'
language:
- iso: eng
page: 28302-28309
publication: The Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
- 1932-7455
publication_status: published
status: public
title: Enhanced Stability of Single-Layer w-Gallenene through Hydrogenation
type: journal_article
user_id: '78800'
year: '2018'
...
---
_id: '1764'
author:
- first_name: Bernhard
full_name: Atorf, Bernhard
last_name: Atorf
- first_name: Hoda
full_name: Rasouli, Hoda
last_name: Rasouli
- first_name: Holger
full_name: Mühlenbernd, Holger
last_name: Mühlenbernd
- first_name: Bernhard J.
full_name: Reineke, Bernhard J.
last_name: Reineke
- first_name: Thomas
full_name: Zentgraf, Thomas
id: '30525'
last_name: Zentgraf
orcid: 0000-0002-8662-1101
- first_name: Heinz-Siegfried
full_name: Kitzerow, Heinz-Siegfried
id: '254'
last_name: Kitzerow
citation:
ama: Atorf B, Rasouli H, Mühlenbernd H, Reineke BJ, Zentgraf T, Kitzerow H-S. Switchable
Plasmonic Holograms Utilizing the Electro-Optic Effect of a Liquid-Crystal Circular
Polarizer. The Journal of Physical Chemistry C. 2018;122(8):4600-4606.
doi:10.1021/acs.jpcc.7b12609
apa: Atorf, B., Rasouli, H., Mühlenbernd, H., Reineke, B. J., Zentgraf, T., &
Kitzerow, H.-S. (2018). Switchable Plasmonic Holograms Utilizing the Electro-Optic
Effect of a Liquid-Crystal Circular Polarizer. The Journal of Physical Chemistry
C, 122(8), 4600–4606. https://doi.org/10.1021/acs.jpcc.7b12609
bibtex: '@article{Atorf_Rasouli_Mühlenbernd_Reineke_Zentgraf_Kitzerow_2018, title={Switchable
Plasmonic Holograms Utilizing the Electro-Optic Effect of a Liquid-Crystal Circular
Polarizer}, volume={122}, DOI={10.1021/acs.jpcc.7b12609},
number={8}, journal={The Journal of Physical Chemistry C}, publisher={American
Chemical Society (ACS)}, author={Atorf, Bernhard and Rasouli, Hoda and Mühlenbernd,
Holger and Reineke, Bernhard J. and Zentgraf, Thomas and Kitzerow, Heinz-Siegfried},
year={2018}, pages={4600–4606} }'
chicago: 'Atorf, Bernhard, Hoda Rasouli, Holger Mühlenbernd, Bernhard J. Reineke,
Thomas Zentgraf, and Heinz-Siegfried Kitzerow. “Switchable Plasmonic Holograms
Utilizing the Electro-Optic Effect of a Liquid-Crystal Circular Polarizer.” The
Journal of Physical Chemistry C 122, no. 8 (2018): 4600–4606. https://doi.org/10.1021/acs.jpcc.7b12609.'
ieee: 'B. Atorf, H. Rasouli, H. Mühlenbernd, B. J. Reineke, T. Zentgraf, and H.-S.
Kitzerow, “Switchable Plasmonic Holograms Utilizing the Electro-Optic Effect of
a Liquid-Crystal Circular Polarizer,” The Journal of Physical Chemistry C,
vol. 122, no. 8, pp. 4600–4606, 2018, doi: 10.1021/acs.jpcc.7b12609.'
mla: Atorf, Bernhard, et al. “Switchable Plasmonic Holograms Utilizing the Electro-Optic
Effect of a Liquid-Crystal Circular Polarizer.” The Journal of Physical Chemistry
C, vol. 122, no. 8, American Chemical Society (ACS), 2018, pp. 4600–06, doi:10.1021/acs.jpcc.7b12609.
short: B. Atorf, H. Rasouli, H. Mühlenbernd, B.J. Reineke, T. Zentgraf, H.-S. Kitzerow,
The Journal of Physical Chemistry C 122 (2018) 4600–4606.
date_created: 2018-03-23T13:12:39Z
date_updated: 2023-01-10T13:17:01Z
department:
- _id: '15'
- _id: '230'
- _id: '313'
doi: 10.1021/acs.jpcc.7b12609
intvolume: ' 122'
issue: '8'
language:
- iso: eng
page: 4600-4606
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: Switchable Plasmonic Holograms Utilizing the Electro-Optic Effect of a Liquid-Crystal
Circular Polarizer
type: journal_article
user_id: '14931'
volume: 122
year: '2018'
...
---
_id: '63999'
abstract:
- lang: eng
text: The behavior of mixtures of 1-octanol with water with different molar ratios
confined inside the mesoporous silica SBA-15 was investigated by a combination
of solid-state NMR spectroscopy and molecular dynamics (MD) simulations. Two-dimensional
H-1-Si-29 FSLG-HET-COR NMR spectra revealed the orientation of 1-octanol relative
to the pore walls. These arrangements are in good agreement with the preferred
structures found by MD. In addition, MD simulations also shed light on molecular
orientations and interactions in the pore center region, which are not resolvable
by solid-state NMR.
author:
- first_name: B.
full_name: Kumari, B.
last_name: Kumari
- first_name: M.
full_name: Brodrecht, M.
last_name: Brodrecht
- first_name: H.
full_name: Breitzke, H.
last_name: Breitzke
- first_name: M.
full_name: Werner, M.
last_name: Werner
- first_name: B.
full_name: Grunberg, B.
last_name: Grunberg
- first_name: H. H.
full_name: Limbach, H. H.
last_name: Limbach
- first_name: S.
full_name: Forg, S.
last_name: Forg
- first_name: E. P.
full_name: Sanjon, E. P.
last_name: Sanjon
- first_name: B.
full_name: Drossel, B.
last_name: Drossel
- first_name: Torsten
full_name: Gutmann, Torsten
id: '118165'
last_name: Gutmann
- first_name: G.
full_name: Buntkowsky, G.
last_name: Buntkowsky
citation:
ama: 'Kumari B, Brodrecht M, Breitzke H, et al. Mixtures of Alcohols and Water confined
in Mesoporous Silica: A Combined Solid-State NMR and Molecular Dynamics Simulation
Study. Journal of Physical Chemistry C. 2018;122(34):19540–19550. doi:10.1021/acs.jpcc.8b04745'
apa: 'Kumari, B., Brodrecht, M., Breitzke, H., Werner, M., Grunberg, B., Limbach,
H. H., Forg, S., Sanjon, E. P., Drossel, B., Gutmann, T., & Buntkowsky, G.
(2018). Mixtures of Alcohols and Water confined in Mesoporous Silica: A Combined
Solid-State NMR and Molecular Dynamics Simulation Study. Journal of Physical
Chemistry C, 122(34), 19540–19550. https://doi.org/10.1021/acs.jpcc.8b04745'
bibtex: '@article{Kumari_Brodrecht_Breitzke_Werner_Grunberg_Limbach_Forg_Sanjon_Drossel_Gutmann_et
al._2018, title={Mixtures of Alcohols and Water confined in Mesoporous Silica:
A Combined Solid-State NMR and Molecular Dynamics Simulation Study}, volume={122},
DOI={10.1021/acs.jpcc.8b04745},
number={34}, journal={Journal of Physical Chemistry C}, author={Kumari, B. and
Brodrecht, M. and Breitzke, H. and Werner, M. and Grunberg, B. and Limbach, H.
H. and Forg, S. and Sanjon, E. P. and Drossel, B. and Gutmann, Torsten and et
al.}, year={2018}, pages={19540–19550} }'
chicago: 'Kumari, B., M. Brodrecht, H. Breitzke, M. Werner, B. Grunberg, H. H. Limbach,
S. Forg, et al. “Mixtures of Alcohols and Water Confined in Mesoporous Silica:
A Combined Solid-State NMR and Molecular Dynamics Simulation Study.” Journal
of Physical Chemistry C 122, no. 34 (2018): 19540–19550. https://doi.org/10.1021/acs.jpcc.8b04745.'
ieee: 'B. Kumari et al., “Mixtures of Alcohols and Water confined in Mesoporous
Silica: A Combined Solid-State NMR and Molecular Dynamics Simulation Study,” Journal
of Physical Chemistry C, vol. 122, no. 34, pp. 19540–19550, 2018, doi: 10.1021/acs.jpcc.8b04745.'
mla: 'Kumari, B., et al. “Mixtures of Alcohols and Water Confined in Mesoporous
Silica: A Combined Solid-State NMR and Molecular Dynamics Simulation Study.” Journal
of Physical Chemistry C, vol. 122, no. 34, 2018, pp. 19540–19550, doi:10.1021/acs.jpcc.8b04745.'
short: B. Kumari, M. Brodrecht, H. Breitzke, M. Werner, B. Grunberg, H.H. Limbach,
S. Forg, E.P. Sanjon, B. Drossel, T. Gutmann, G. Buntkowsky, Journal of Physical
Chemistry C 122 (2018) 19540–19550.
date_created: 2026-02-07T15:51:48Z
date_updated: 2026-02-17T16:15:56Z
doi: 10.1021/acs.jpcc.8b04745
extern: '1'
intvolume: ' 122'
issue: '34'
language:
- iso: eng
page: 19540–19550
publication: Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
status: public
title: 'Mixtures of Alcohols and Water confined in Mesoporous Silica: A Combined Solid-State
NMR and Molecular Dynamics Simulation Study'
type: journal_article
user_id: '100715'
volume: 122
year: '2018'
...
---
_id: '63938'
author:
- first_name: Yuan
full_name: Cao, Yuan
last_name: Cao
- first_name: Li
full_name: Zhao, Li
last_name: Zhao
- first_name: Torsten
full_name: Gutmann, Torsten
id: '118165'
last_name: Gutmann
- first_name: Yeping
full_name: Xu, Yeping
last_name: Xu
- first_name: Lin
full_name: Dong, Lin
last_name: Dong
- first_name: Gerd
full_name: Buntkowsky, Gerd
last_name: Buntkowsky
- first_name: Fei
full_name: Gao, Fei
last_name: Gao
citation:
ama: Cao Y, Zhao L, Gutmann T, et al. Getting Insights into the Influence of Crystal
Plane Effect of Shaped Ceria on Its Catalytic Performances. Journal of Physical
Chemistry C. 2018;122(35):20402–20409. doi:10.1021/acs.jpcc.8b06138
apa: Cao, Y., Zhao, L., Gutmann, T., Xu, Y., Dong, L., Buntkowsky, G., & Gao,
F. (2018). Getting Insights into the Influence of Crystal Plane Effect of Shaped
Ceria on Its Catalytic Performances. Journal of Physical Chemistry C, 122(35),
20402–20409. https://doi.org/10.1021/acs.jpcc.8b06138
bibtex: '@article{Cao_Zhao_Gutmann_Xu_Dong_Buntkowsky_Gao_2018, title={Getting Insights
into the Influence of Crystal Plane Effect of Shaped Ceria on Its Catalytic Performances},
volume={122}, DOI={10.1021/acs.jpcc.8b06138},
number={35}, journal={Journal of Physical Chemistry C}, publisher={American Chemical
Society}, author={Cao, Yuan and Zhao, Li and Gutmann, Torsten and Xu, Yeping and
Dong, Lin and Buntkowsky, Gerd and Gao, Fei}, year={2018}, pages={20402–20409}
}'
chicago: 'Cao, Yuan, Li Zhao, Torsten Gutmann, Yeping Xu, Lin Dong, Gerd Buntkowsky,
and Fei Gao. “Getting Insights into the Influence of Crystal Plane Effect of Shaped
Ceria on Its Catalytic Performances.” Journal of Physical Chemistry C 122,
no. 35 (2018): 20402–20409. https://doi.org/10.1021/acs.jpcc.8b06138.'
ieee: 'Y. Cao et al., “Getting Insights into the Influence of Crystal Plane
Effect of Shaped Ceria on Its Catalytic Performances,” Journal of Physical
Chemistry C, vol. 122, no. 35, pp. 20402–20409, 2018, doi: 10.1021/acs.jpcc.8b06138.'
mla: Cao, Yuan, et al. “Getting Insights into the Influence of Crystal Plane Effect
of Shaped Ceria on Its Catalytic Performances.” Journal of Physical Chemistry
C, vol. 122, no. 35, American Chemical Society, 2018, pp. 20402–20409, doi:10.1021/acs.jpcc.8b06138.
short: Y. Cao, L. Zhao, T. Gutmann, Y. Xu, L. Dong, G. Buntkowsky, F. Gao, Journal
of Physical Chemistry C 122 (2018) 20402–20409.
date_created: 2026-02-07T09:08:25Z
date_updated: 2026-02-17T16:18:45Z
doi: 10.1021/acs.jpcc.8b06138
extern: '1'
intvolume: ' 122'
issue: '35'
language:
- iso: eng
page: 20402–20409
publication: Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
publisher: American Chemical Society
status: public
title: Getting Insights into the Influence of Crystal Plane Effect of Shaped Ceria
on Its Catalytic Performances
type: journal_article
user_id: '100715'
volume: 122
year: '2018'
...
---
_id: '63926'
abstract:
- lang: eng
text: Synthesis of novel trityl-nitroxyl biradicals and their performance as polarization
agents in DNP-enhanced solid-state MAS NMR spectroscopy is presented. Signal enhancements
in H-1, H-1 -{\textgreater} C-13 CP MAS, and C-13 MAS experiments obtained with
these radicals dissolved in 1,1,2,2-tetrachloroethane (TCE) solution are compared
with the enhancements obtained from TCE solutions of binitroxyl radicals. The
signal enhancements are correlated with the distance between the radical centers
of the biradicals, as determined by theoretical structure calculations. Some of
the biradical TCE solutions display direct-channel resonances in C-13 MAS experiments
as well as indirect channel resonances induced via the proton spin reservoir.
Differential scanning calorimetry reveals that only these solutions do not form
any solid crystalline phases upon rapid cooling, suggesting that molecular motions
needed for polarization transfer from radicals to C-13 via the proton spin reservoir
remain active at the experimental low temperatures of nominal 120 K. DNP magnetic
field sweep enhancement profiles for selected new biradicals are presented as
well. These indicate that the DNP transfer is dominated by the cross-effect mechanism.
author:
- first_name: S.
full_name: Bothe, S.
last_name: Bothe
- first_name: J.
full_name: Nowag, J.
last_name: Nowag
- first_name: V.
full_name: Klimavicius, V.
last_name: Klimavicius
- first_name: M.
full_name: Hoffmann, M.
last_name: Hoffmann
- first_name: T. I.
full_name: Troitskaya, T. I.
last_name: Troitskaya
- first_name: E. V.
full_name: Amosov, E. V.
last_name: Amosov
- first_name: V. M.
full_name: Tormyshev, V. M.
last_name: Tormyshev
- first_name: I.
full_name: Kirilyuk, I.
last_name: Kirilyuk
- first_name: A.
full_name: Taratayko, A.
last_name: Taratayko
- first_name: A.
full_name: Kuzhelev, A.
last_name: Kuzhelev
- first_name: D.
full_name: Parkhomenko, D.
last_name: Parkhomenko
- first_name: E.
full_name: Bagryanskaya, E.
last_name: Bagryanskaya
- first_name: Torsten
full_name: Gutmann, Torsten
id: '118165'
last_name: Gutmann
- first_name: G.
full_name: Buntkowsky, G.
last_name: Buntkowsky
citation:
ama: Bothe S, Nowag J, Klimavicius V, et al. Novel Biradicals for Direct Excitation
Highfield Dynamic Nuclear Polarization. Journal of Physical Chemistry C.
2018;122(21):11422–11432. doi:10.1021/acs.jpcc.8b02570
apa: Bothe, S., Nowag, J., Klimavicius, V., Hoffmann, M., Troitskaya, T. I., Amosov,
E. V., Tormyshev, V. M., Kirilyuk, I., Taratayko, A., Kuzhelev, A., Parkhomenko,
D., Bagryanskaya, E., Gutmann, T., & Buntkowsky, G. (2018). Novel Biradicals
for Direct Excitation Highfield Dynamic Nuclear Polarization. Journal of Physical
Chemistry C, 122(21), 11422–11432. https://doi.org/10.1021/acs.jpcc.8b02570
bibtex: '@article{Bothe_Nowag_Klimavicius_Hoffmann_Troitskaya_Amosov_Tormyshev_Kirilyuk_Taratayko_Kuzhelev_et
al._2018, title={Novel Biradicals for Direct Excitation Highfield Dynamic Nuclear
Polarization}, volume={122}, DOI={10.1021/acs.jpcc.8b02570},
number={21}, journal={Journal of Physical Chemistry C}, author={Bothe, S. and
Nowag, J. and Klimavicius, V. and Hoffmann, M. and Troitskaya, T. I. and Amosov,
E. V. and Tormyshev, V. M. and Kirilyuk, I. and Taratayko, A. and Kuzhelev, A.
and et al.}, year={2018}, pages={11422–11432} }'
chicago: 'Bothe, S., J. Nowag, V. Klimavicius, M. Hoffmann, T. I. Troitskaya, E.
V. Amosov, V. M. Tormyshev, et al. “Novel Biradicals for Direct Excitation Highfield
Dynamic Nuclear Polarization.” Journal of Physical Chemistry C 122, no.
21 (2018): 11422–11432. https://doi.org/10.1021/acs.jpcc.8b02570.'
ieee: 'S. Bothe et al., “Novel Biradicals for Direct Excitation Highfield
Dynamic Nuclear Polarization,” Journal of Physical Chemistry C, vol. 122,
no. 21, pp. 11422–11432, 2018, doi: 10.1021/acs.jpcc.8b02570.'
mla: Bothe, S., et al. “Novel Biradicals for Direct Excitation Highfield Dynamic
Nuclear Polarization.” Journal of Physical Chemistry C, vol. 122, no. 21,
2018, pp. 11422–11432, doi:10.1021/acs.jpcc.8b02570.
short: S. Bothe, J. Nowag, V. Klimavicius, M. Hoffmann, T.I. Troitskaya, E.V. Amosov,
V.M. Tormyshev, I. Kirilyuk, A. Taratayko, A. Kuzhelev, D. Parkhomenko, E. Bagryanskaya,
T. Gutmann, G. Buntkowsky, Journal of Physical Chemistry C 122 (2018) 11422–11432.
date_created: 2026-02-07T08:59:17Z
date_updated: 2026-02-17T16:19:13Z
doi: 10.1021/acs.jpcc.8b02570
extern: '1'
intvolume: ' 122'
issue: '21'
language:
- iso: eng
page: 11422–11432
publication: Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
status: public
title: Novel Biradicals for Direct Excitation Highfield Dynamic Nuclear Polarization
type: journal_article
user_id: '100715'
volume: 122
year: '2018'
...
---
_id: '26106'
abstract:
- lang: eng
text: We study the variation of the adhesion forces between wet TiO2 nanoparticles
as a function of their size and the ambient relative humidity. Combining all-atom
molecular dynamics and capillary simulations we demonstrate that the linear scaling
of the interparticle forces with the particle diameter, well established for microscopic
and macroscopic particles, can be extended down to diameters of a few nm. At this
size scale, however, the molecular nature of the water adsorbates dictates the
adhesion forces both via solvation effects and influencing parameters of analytical
capillary models such as the equilibrium particle–particle separation distance
and the water/particle contact angle. Moreover, the water surface tension becomes
considerably larger than the macroscopic bulk value due to combined effects of
thin-film confinement and tight curvature, in a way that strongly depends on humidity
and particle size. Taking these effects into proper account, classical capillary
equations can be used to predict the interparticle forces even of the smallest
particles considered here (4 nm), although the circular approximation fails to
reproduce the distance at which the water meniscus breaks. Finally, the transition
between the dominating effects at the nanoscopic scale and conventional capillary
theory valid at microscopic size scales can be only rationalized if the presence
of roughness asperities on the surface of the large particles is explicitly taken
into account.
author:
- first_name: Jens
full_name: Laube, Jens
last_name: Laube
- first_name: Michael
full_name: Dörmann, Michael
last_name: Dörmann
- first_name: Hans-Joachim
full_name: Schmid, Hans-Joachim
id: '464'
last_name: Schmid
- first_name: Lutz
full_name: Mädler, Lutz
last_name: Mädler
- first_name: Lucio
full_name: Colombi Ciacchi, Lucio
last_name: Colombi Ciacchi
citation:
ama: Laube J, Dörmann M, Schmid H-J, Mädler L, Colombi Ciacchi L. Dependencies of
the Adhesion Forces between TiO2 Nanoparticles on Size and Ambient Humidity. The
Journal of Physical Chemistry C. Published online 2017:15294-15303. doi:10.1021/acs.jpcc.7b05655
apa: Laube, J., Dörmann, M., Schmid, H.-J., Mädler, L., & Colombi Ciacchi, L.
(2017). Dependencies of the Adhesion Forces between TiO2 Nanoparticles on Size
and Ambient Humidity. The Journal of Physical Chemistry C, 15294–15303.
https://doi.org/10.1021/acs.jpcc.7b05655
bibtex: '@article{Laube_Dörmann_Schmid_Mädler_Colombi Ciacchi_2017, title={Dependencies
of the Adhesion Forces between TiO2 Nanoparticles on Size and Ambient Humidity},
DOI={10.1021/acs.jpcc.7b05655},
journal={The Journal of Physical Chemistry C}, author={Laube, Jens and Dörmann,
Michael and Schmid, Hans-Joachim and Mädler, Lutz and Colombi Ciacchi, Lucio},
year={2017}, pages={15294–15303} }'
chicago: Laube, Jens, Michael Dörmann, Hans-Joachim Schmid, Lutz Mädler, and Lucio
Colombi Ciacchi. “Dependencies of the Adhesion Forces between TiO2 Nanoparticles
on Size and Ambient Humidity.” The Journal of Physical Chemistry C, 2017,
15294–303. https://doi.org/10.1021/acs.jpcc.7b05655.
ieee: 'J. Laube, M. Dörmann, H.-J. Schmid, L. Mädler, and L. Colombi Ciacchi, “Dependencies
of the Adhesion Forces between TiO2 Nanoparticles on Size and Ambient Humidity,”
The Journal of Physical Chemistry C, pp. 15294–15303, 2017, doi: 10.1021/acs.jpcc.7b05655.'
mla: Laube, Jens, et al. “Dependencies of the Adhesion Forces between TiO2 Nanoparticles
on Size and Ambient Humidity.” The Journal of Physical Chemistry C, 2017,
pp. 15294–303, doi:10.1021/acs.jpcc.7b05655.
short: J. Laube, M. Dörmann, H.-J. Schmid, L. Mädler, L. Colombi Ciacchi, The Journal
of Physical Chemistry C (2017) 15294–15303.
date_created: 2021-10-13T13:31:20Z
date_updated: 2022-01-06T06:57:16Z
doi: 10.1021/acs.jpcc.7b05655
language:
- iso: eng
page: 15294-15303
publication: The Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
- 1932-7455
publication_status: published
status: public
title: Dependencies of the Adhesion Forces between TiO2 Nanoparticles on Size and
Ambient Humidity
type: journal_article
user_id: '70093'
year: '2017'
...
---
_id: '64048'
author:
- first_name: Aany S. L.
full_name: Thankamony, Aany S. L.
last_name: Thankamony
- first_name: Stefan
full_name: Knoche, Stefan
last_name: Knoche
- first_name: Sarah
full_name: Bothe, Sarah
last_name: Bothe
- first_name: Alfons
full_name: Drochner, Alfons
last_name: Drochner
- first_name: Anil P.
full_name: Jagtap, Anil P.
last_name: Jagtap
- first_name: Snorri Th
full_name: Sigurdsson, Snorri Th
last_name: Sigurdsson
- first_name: Herbert
full_name: Vogel, Herbert
last_name: Vogel
- first_name: Bastian J. M.
full_name: Etzold, Bastian J. M.
last_name: Etzold
- first_name: Torsten
full_name: Gutmann, Torsten
id: '118165'
last_name: Gutmann
- first_name: Gerd
full_name: Buntkowsky, Gerd
last_name: Buntkowsky
citation:
ama: Thankamony ASL, Knoche S, Bothe S, et al. Characterization of V–Mo–W Mixed
Oxide Catalyst Surface Species by 51V Solid-State Dynamic Nuclear Polarization
NMR. Journal of Physical Chemistry C. 2017;121(38):20857–20864. doi:10.1021/acs.jpcc.7b06761
apa: Thankamony, A. S. L., Knoche, S., Bothe, S., Drochner, A., Jagtap, A. P., Sigurdsson,
S. T., Vogel, H., Etzold, B. J. M., Gutmann, T., & Buntkowsky, G. (2017).
Characterization of V–Mo–W Mixed Oxide Catalyst Surface Species by 51V Solid-State
Dynamic Nuclear Polarization NMR. Journal of Physical Chemistry C, 121(38),
20857–20864. https://doi.org/10.1021/acs.jpcc.7b06761
bibtex: '@article{Thankamony_Knoche_Bothe_Drochner_Jagtap_Sigurdsson_Vogel_Etzold_Gutmann_Buntkowsky_2017,
title={Characterization of V–Mo–W Mixed Oxide Catalyst Surface Species by 51V
Solid-State Dynamic Nuclear Polarization NMR}, volume={121}, DOI={10.1021/acs.jpcc.7b06761},
number={38}, journal={Journal of Physical Chemistry C}, publisher={American Chemical
Society}, author={Thankamony, Aany S. L. and Knoche, Stefan and Bothe, Sarah and
Drochner, Alfons and Jagtap, Anil P. and Sigurdsson, Snorri Th and Vogel, Herbert
and Etzold, Bastian J. M. and Gutmann, Torsten and Buntkowsky, Gerd}, year={2017},
pages={20857–20864} }'
chicago: 'Thankamony, Aany S. L., Stefan Knoche, Sarah Bothe, Alfons Drochner, Anil
P. Jagtap, Snorri Th Sigurdsson, Herbert Vogel, Bastian J. M. Etzold, Torsten
Gutmann, and Gerd Buntkowsky. “Characterization of V–Mo–W Mixed Oxide Catalyst
Surface Species by 51V Solid-State Dynamic Nuclear Polarization NMR.” Journal
of Physical Chemistry C 121, no. 38 (2017): 20857–20864. https://doi.org/10.1021/acs.jpcc.7b06761.'
ieee: 'A. S. L. Thankamony et al., “Characterization of V–Mo–W Mixed Oxide
Catalyst Surface Species by 51V Solid-State Dynamic Nuclear Polarization NMR,”
Journal of Physical Chemistry C, vol. 121, no. 38, pp. 20857–20864, 2017,
doi: 10.1021/acs.jpcc.7b06761.'
mla: Thankamony, Aany S. L., et al. “Characterization of V–Mo–W Mixed Oxide Catalyst
Surface Species by 51V Solid-State Dynamic Nuclear Polarization NMR.” Journal
of Physical Chemistry C, vol. 121, no. 38, American Chemical Society, 2017,
pp. 20857–20864, doi:10.1021/acs.jpcc.7b06761.
short: A.S.L. Thankamony, S. Knoche, S. Bothe, A. Drochner, A.P. Jagtap, S.T. Sigurdsson,
H. Vogel, B.J.M. Etzold, T. Gutmann, G. Buntkowsky, Journal of Physical Chemistry
C 121 (2017) 20857–20864.
date_created: 2026-02-07T16:13:02Z
date_updated: 2026-02-17T16:13:04Z
doi: 10.1021/acs.jpcc.7b06761
extern: '1'
intvolume: ' 121'
issue: '38'
language:
- iso: eng
page: 20857–20864
publication: Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
publisher: American Chemical Society
status: public
title: Characterization of V–Mo–W Mixed Oxide Catalyst Surface Species by 51V Solid-State
Dynamic Nuclear Polarization NMR
type: journal_article
user_id: '100715'
volume: 121
year: '2017'
...