---
_id: '26525'
author:
- first_name: Johannes
full_name: Hebebrand, Johannes
last_name: Hebebrand
- first_name: Jochen
full_name: Antel, Jochen
last_name: Antel
- first_name: Susanne
full_name: Tan, Susanne
last_name: Tan
- first_name: Martin
full_name: Wabitsch, Martin
last_name: Wabitsch
- first_name: Urban
full_name: Wiesing, Urban
last_name: Wiesing
- first_name: Nikolaus
full_name: Barth, Nikolaus
last_name: Barth
- first_name: Christine
full_name: Ludwig, Christine
last_name: Ludwig
- first_name: Judith
full_name: Bühlmeier, Judith
id: '89838'
last_name: Bühlmeier
- first_name: Lars
full_name: Libuda, Lars
id: '88682'
last_name: Libuda
orcid: 0000-0003-1603-3133
- first_name: Gabriella
full_name: Milos, Gabriella
last_name: Milos
- first_name: Anke
full_name: Hinney, Anke
last_name: Hinney
citation:
ama: 'Hebebrand J, Antel J, Tan S, et al. Kurzzeitige Behandlung von Patient_innen
mit Anorexia nervosa mit rekombinant hergestelltem Human-Leptin
(Metreleptin): Rasch einsetzende positive Effekte auf Stimmung,
Kognition und Verhalten. Zeitschrift für Kinder- und Jugendpsychiatrie und
Psychotherapie. Published online 2021:1-5. doi:10.1024/1422-4917/a000775'
apa: 'Hebebrand, J., Antel, J., Tan, S., Wabitsch, M., Wiesing, U., Barth, N., Ludwig,
C., Bühlmeier, J., Libuda, L., Milos, G., & Hinney, A. (2021). Kurzzeitige
Behandlung von Patient_innen mit Anorexia nervosa mit rekombinant
hergestelltem Human-Leptin (Metreleptin): Rasch einsetzende positive
Effekte auf Stimmung, Kognition und Verhalten. Zeitschrift für Kinder-
und Jugendpsychiatrie und Psychotherapie, 1–5. https://doi.org/10.1024/1422-4917/a000775'
bibtex: '@article{Hebebrand_Antel_Tan_Wabitsch_Wiesing_Barth_Ludwig_Bühlmeier_Libuda_Milos_et
al._2021, title={Kurzzeitige Behandlung von Patient_innen mit Anorexia nervosa
mit rekombinant hergestelltem Human-Leptin (Metreleptin):
Rasch einsetzende positive Effekte auf Stimmung, Kognition
und Verhalten}, DOI={10.1024/1422-4917/a000775},
journal={Zeitschrift für Kinder- und Jugendpsychiatrie und Psychotherapie}, author={Hebebrand,
Johannes and Antel, Jochen and Tan, Susanne and Wabitsch, Martin and Wiesing,
Urban and Barth, Nikolaus and Ludwig, Christine and Bühlmeier, Judith and Libuda,
Lars and Milos, Gabriella and et al.}, year={2021}, pages={1–5} }'
chicago: 'Hebebrand, Johannes, Jochen Antel, Susanne Tan, Martin Wabitsch, Urban
Wiesing, Nikolaus Barth, Christine Ludwig, et al. “Kurzzeitige Behandlung von
Patient_innen mit Anorexia nervosa mit rekombinant hergestelltem
Human-Leptin (Metreleptin): Rasch einsetzende positive Effekte
auf Stimmung, Kognition und Verhalten.” Zeitschrift für Kinder- und Jugendpsychiatrie
und Psychotherapie, 2021, 1–5. https://doi.org/10.1024/1422-4917/a000775.'
ieee: 'J. Hebebrand et al., “Kurzzeitige Behandlung von Patient_innen mit
Anorexia nervosa mit rekombinant hergestelltem Human-Leptin
(Metreleptin): Rasch einsetzende positive Effekte auf Stimmung,
Kognition und Verhalten,” Zeitschrift für Kinder- und Jugendpsychiatrie und
Psychotherapie, pp. 1–5, 2021, doi: 10.1024/1422-4917/a000775.'
mla: 'Hebebrand, Johannes, et al. “Kurzzeitige Behandlung von Patient_innen mit
Anorexia nervosa mit rekombinant hergestelltem Human-Leptin
(Metreleptin): Rasch einsetzende positive Effekte auf Stimmung,
Kognition und Verhalten.” Zeitschrift für Kinder- und Jugendpsychiatrie und
Psychotherapie, 2021, pp. 1–5, doi:10.1024/1422-4917/a000775.'
short: J. Hebebrand, J. Antel, S. Tan, M. Wabitsch, U. Wiesing, N. Barth, C. Ludwig,
J. Bühlmeier, L. Libuda, G. Milos, A. Hinney, Zeitschrift für Kinder- und Jugendpsychiatrie
und Psychotherapie (2021) 1–5.
date_created: 2021-10-19T09:55:10Z
date_updated: 2022-09-15T09:50:49Z
department:
- _id: '35'
- _id: '22'
doi: 10.1024/1422-4917/a000775
extern: '1'
language:
- iso: ger
page: 1-5
publication: Zeitschrift für Kinder- und Jugendpsychiatrie und Psychotherapie
publication_identifier:
issn:
- 1422-4917
- 1664-2880
publication_status: published
status: public
title: 'Kurzzeitige Behandlung von Patient_innen mit Anorexia nervosa mit rekombinant
hergestelltem Human-Leptin (Metreleptin): Rasch einsetzende positive Effekte
auf Stimmung, Kognition und Verhalten'
type: journal_article
user_id: '89838'
year: '2021'
...
---
_id: '33587'
abstract:
- lang: eng
text: "Abstract\r\n We performed
a virtual materials screening to identify promising topological materials for
photocatalytic water splitting under visible light irradiation. Topological compounds
were screened based on band gap, band edge energy, and thermodynamics stability
criteria. In addition, topological types for our final candidates were computed
based on electronic structures calculated usingthe hybrid density functional theory
including exact Hartree–Fock exchange. Our final list contains materials which
have band gaps between 1.0 and 2.7 eV in addition to band edge energies suitable
for water oxidation and reduction. However, the topological types of these compounds
calculated with the hybrid functional differ from those reported previously. To
that end, we discuss the importance of computational methods for the calculation
of atomic and electronic structures in materials screening processes."
article_number: '015001'
author:
- first_name: Ahmad
full_name: Ranjbar, Ahmad
last_name: Ranjbar
- first_name: Hossein
full_name: Mirhosseini, Hossein
last_name: Mirhosseini
- first_name: Thomas D
full_name: Kühne, Thomas D
last_name: Kühne
citation:
ama: 'Ranjbar A, Mirhosseini H, Kühne TD. On topological materials as photocatalysts
for water splitting by visible light. Journal of Physics: Materials. 2021;5(1).
doi:10.1088/2515-7639/ac363d'
apa: 'Ranjbar, A., Mirhosseini, H., & Kühne, T. D. (2021). On topological materials
as photocatalysts for water splitting by visible light. Journal of Physics:
Materials, 5(1), Article 015001. https://doi.org/10.1088/2515-7639/ac363d'
bibtex: '@article{Ranjbar_Mirhosseini_Kühne_2021, title={On topological materials
as photocatalysts for water splitting by visible light}, volume={5}, DOI={10.1088/2515-7639/ac363d},
number={1015001}, journal={Journal of Physics: Materials}, publisher={IOP Publishing},
author={Ranjbar, Ahmad and Mirhosseini, Hossein and Kühne, Thomas D}, year={2021}
}'
chicago: 'Ranjbar, Ahmad, Hossein Mirhosseini, and Thomas D Kühne. “On Topological
Materials as Photocatalysts for Water Splitting by Visible Light.” Journal
of Physics: Materials 5, no. 1 (2021). https://doi.org/10.1088/2515-7639/ac363d.'
ieee: 'A. Ranjbar, H. Mirhosseini, and T. D. Kühne, “On topological materials as
photocatalysts for water splitting by visible light,” Journal of Physics: Materials,
vol. 5, no. 1, Art. no. 015001, 2021, doi: 10.1088/2515-7639/ac363d.'
mla: 'Ranjbar, Ahmad, et al. “On Topological Materials as Photocatalysts for Water
Splitting by Visible Light.” Journal of Physics: Materials, vol. 5, no.
1, 015001, IOP Publishing, 2021, doi:10.1088/2515-7639/ac363d.'
short: 'A. Ranjbar, H. Mirhosseini, T.D. Kühne, Journal of Physics: Materials 5
(2021).'
date_created: 2022-10-09T15:25:09Z
date_updated: 2022-10-09T15:25:19Z
department:
- _id: '613'
doi: 10.1088/2515-7639/ac363d
intvolume: ' 5'
issue: '1'
keyword:
- Condensed Matter Physics
- General Materials Science
- Atomic and Molecular Physics
- and Optics
language:
- iso: eng
publication: 'Journal of Physics: Materials'
publication_identifier:
issn:
- 2515-7639
publication_status: published
publisher: IOP Publishing
status: public
title: On topological materials as photocatalysts for water splitting by visible light
type: journal_article
user_id: '71051'
volume: 5
year: '2021'
...
---
_id: '33643'
abstract:
- lang: eng
text: The origin of strong interactions between water molecules and porous
C2N surfaces is investigated by using a combination of model
materials, volumetric physisorption measurements, solid-state NMR spectroscopy,
and DFT calculations.
author:
- first_name: Julian Joachim
full_name: Heske, Julian Joachim
id: '53238'
last_name: Heske
- first_name: Ralf
full_name: Walczak, Ralf
last_name: Walczak
- first_name: Jan D.
full_name: Epping, Jan D.
last_name: Epping
- first_name: Sol
full_name: Youk, Sol
last_name: Youk
- first_name: Sudhir K.
full_name: Sahoo, Sudhir K.
last_name: Sahoo
- first_name: Markus
full_name: Antonietti, Markus
last_name: Antonietti
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
- first_name: Martin
full_name: Oschatz, Martin
last_name: Oschatz
citation:
ama: Heske JJ, Walczak R, Epping JD, et al. When water becomes an integral part
of carbon – combining theory and experiment to understand the zeolite-like water
adsorption properties of porous C2N materials. Journal of Materials
Chemistry A. 2021;9(39):22563-22572. doi:10.1039/d1ta05122a
apa: Heske, J. J., Walczak, R., Epping, J. D., Youk, S., Sahoo, S. K., Antonietti,
M., Kühne, T., & Oschatz, M. (2021). When water becomes an integral part of
carbon – combining theory and experiment to understand the zeolite-like water
adsorption properties of porous C2N materials. Journal of Materials
Chemistry A, 9(39), 22563–22572. https://doi.org/10.1039/d1ta05122a
bibtex: '@article{Heske_Walczak_Epping_Youk_Sahoo_Antonietti_Kühne_Oschatz_2021,
title={When water becomes an integral part of carbon – combining theory and experiment
to understand the zeolite-like water adsorption properties of porous C2N
materials}, volume={9}, DOI={10.1039/d1ta05122a},
number={39}, journal={Journal of Materials Chemistry A}, publisher={Royal Society
of Chemistry (RSC)}, author={Heske, Julian Joachim and Walczak, Ralf and Epping,
Jan D. and Youk, Sol and Sahoo, Sudhir K. and Antonietti, Markus and Kühne, Thomas
and Oschatz, Martin}, year={2021}, pages={22563–22572} }'
chicago: 'Heske, Julian Joachim, Ralf Walczak, Jan D. Epping, Sol Youk, Sudhir K.
Sahoo, Markus Antonietti, Thomas Kühne, and Martin Oschatz. “When Water Becomes
an Integral Part of Carbon – Combining Theory and Experiment to Understand the
Zeolite-like Water Adsorption Properties of Porous C2N Materials.”
Journal of Materials Chemistry A 9, no. 39 (2021): 22563–72. https://doi.org/10.1039/d1ta05122a.'
ieee: 'J. J. Heske et al., “When water becomes an integral part of carbon
– combining theory and experiment to understand the zeolite-like water adsorption
properties of porous C2N materials,” Journal of Materials Chemistry
A, vol. 9, no. 39, pp. 22563–22572, 2021, doi: 10.1039/d1ta05122a.'
mla: Heske, Julian Joachim, et al. “When Water Becomes an Integral Part of Carbon
– Combining Theory and Experiment to Understand the Zeolite-like Water Adsorption
Properties of Porous C2N Materials.” Journal of Materials Chemistry
A, vol. 9, no. 39, Royal Society of Chemistry (RSC), 2021, pp. 22563–72, doi:10.1039/d1ta05122a.
short: J.J. Heske, R. Walczak, J.D. Epping, S. Youk, S.K. Sahoo, M. Antonietti,
T. Kühne, M. Oschatz, Journal of Materials Chemistry A 9 (2021) 22563–22572.
date_created: 2022-10-10T08:08:53Z
date_updated: 2022-10-10T08:09:44Z
department:
- _id: '613'
doi: 10.1039/d1ta05122a
intvolume: ' 9'
issue: '39'
keyword:
- General Materials Science
- Renewable Energy
- Sustainability and the Environment
- General Chemistry
language:
- iso: eng
page: 22563-22572
publication: Journal of Materials Chemistry A
publication_identifier:
issn:
- 2050-7488
- 2050-7496
publication_status: published
publisher: Royal Society of Chemistry (RSC)
status: public
title: When water becomes an integral part of carbon – combining theory and experiment
to understand the zeolite-like water adsorption properties of porous C2N
materials
type: journal_article
user_id: '71051'
volume: 9
year: '2021'
...
---
_id: '33645'
abstract:
- lang: eng
text: AbstractVibrational sum-frequency generation
(vSFG) spectroscopy allows the study of the structure and dynamics of interfacial
systems. In the present work, we provide a simple recipe, based on a narrowband
IR pump and broadband vSFG probe technique, to computationally obtain the two-dimensional
vSFG spectrum of water molecules at the air–water interface. Using this technique,
to study the time-dependent spectral evolution of hydrogen-bonded and free water
molecules, we demonstrate that at the interface, the vibrational spectral dynamics
of the free OH bond is faster than that of the bonded OH mode.
article_number: '2456'
author:
- first_name: Deepak
full_name: Ojha, Deepak
last_name: Ojha
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
citation:
ama: Ojha D, Kühne T. Hydrogen bond dynamics of interfacial water molecules revealed
from two-dimensional vibrational sum-frequency generation spectroscopy. Scientific
Reports. 2021;11(1). doi:10.1038/s41598-021-81635-4
apa: Ojha, D., & Kühne, T. (2021). Hydrogen bond dynamics of interfacial water
molecules revealed from two-dimensional vibrational sum-frequency generation spectroscopy.
Scientific Reports, 11(1), Article 2456. https://doi.org/10.1038/s41598-021-81635-4
bibtex: '@article{Ojha_Kühne_2021, title={Hydrogen bond dynamics of interfacial
water molecules revealed from two-dimensional vibrational sum-frequency generation
spectroscopy}, volume={11}, DOI={10.1038/s41598-021-81635-4},
number={12456}, journal={Scientific Reports}, publisher={Springer Science and
Business Media LLC}, author={Ojha, Deepak and Kühne, Thomas}, year={2021} }'
chicago: Ojha, Deepak, and Thomas Kühne. “Hydrogen Bond Dynamics of Interfacial
Water Molecules Revealed from Two-Dimensional Vibrational Sum-Frequency Generation
Spectroscopy.” Scientific Reports 11, no. 1 (2021). https://doi.org/10.1038/s41598-021-81635-4.
ieee: 'D. Ojha and T. Kühne, “Hydrogen bond dynamics of interfacial water molecules
revealed from two-dimensional vibrational sum-frequency generation spectroscopy,”
Scientific Reports, vol. 11, no. 1, Art. no. 2456, 2021, doi: 10.1038/s41598-021-81635-4.'
mla: Ojha, Deepak, and Thomas Kühne. “Hydrogen Bond Dynamics of Interfacial Water
Molecules Revealed from Two-Dimensional Vibrational Sum-Frequency Generation Spectroscopy.”
Scientific Reports, vol. 11, no. 1, 2456, Springer Science and Business
Media LLC, 2021, doi:10.1038/s41598-021-81635-4.
short: D. Ojha, T. Kühne, Scientific Reports 11 (2021).
date_created: 2022-10-10T08:12:00Z
date_updated: 2022-10-10T08:12:16Z
department:
- _id: '613'
doi: 10.1038/s41598-021-81635-4
intvolume: ' 11'
issue: '1'
keyword:
- Multidisciplinary
language:
- iso: eng
publication: Scientific Reports
publication_identifier:
issn:
- 2045-2322
publication_status: published
publisher: Springer Science and Business Media LLC
status: public
title: Hydrogen bond dynamics of interfacial water molecules revealed from two-dimensional
vibrational sum-frequency generation spectroscopy
type: journal_article
user_id: '71051'
volume: 11
year: '2021'
...
---
_id: '33644'
author:
- first_name: Svetlana
full_name: Pylaeva, Svetlana
id: '78888'
last_name: Pylaeva
- first_name: Patrick
full_name: Marx, Patrick
last_name: Marx
- first_name: Gurjot
full_name: Singh, Gurjot
last_name: Singh
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
- first_name: Michael
full_name: Roemelt, Michael
last_name: Roemelt
- first_name: Hossam
full_name: Elgabarty, Hossam
id: '60250'
last_name: Elgabarty
orcid: 0000-0002-4945-1481
citation:
ama: Pylaeva S, Marx P, Singh G, Kühne T, Roemelt M, Elgabarty H. Organic Mixed-Valence
Compounds and the Overhauser Effect in Insulating Solids. The Journal of Physical
Chemistry A. 2021;125(3):867-874. doi:10.1021/acs.jpca.0c11296
apa: Pylaeva, S., Marx, P., Singh, G., Kühne, T., Roemelt, M., & Elgabarty,
H. (2021). Organic Mixed-Valence Compounds and the Overhauser Effect in Insulating
Solids. The Journal of Physical Chemistry A, 125(3), 867–874. https://doi.org/10.1021/acs.jpca.0c11296
bibtex: '@article{Pylaeva_Marx_Singh_Kühne_Roemelt_Elgabarty_2021, title={Organic
Mixed-Valence Compounds and the Overhauser Effect in Insulating Solids}, volume={125},
DOI={10.1021/acs.jpca.0c11296},
number={3}, journal={The Journal of Physical Chemistry A}, publisher={American
Chemical Society (ACS)}, author={Pylaeva, Svetlana and Marx, Patrick and Singh,
Gurjot and Kühne, Thomas and Roemelt, Michael and Elgabarty, Hossam}, year={2021},
pages={867–874} }'
chicago: 'Pylaeva, Svetlana, Patrick Marx, Gurjot Singh, Thomas Kühne, Michael Roemelt,
and Hossam Elgabarty. “Organic Mixed-Valence Compounds and the Overhauser Effect
in Insulating Solids.” The Journal of Physical Chemistry A 125, no. 3 (2021):
867–74. https://doi.org/10.1021/acs.jpca.0c11296.'
ieee: 'S. Pylaeva, P. Marx, G. Singh, T. Kühne, M. Roemelt, and H. Elgabarty, “Organic
Mixed-Valence Compounds and the Overhauser Effect in Insulating Solids,” The
Journal of Physical Chemistry A, vol. 125, no. 3, pp. 867–874, 2021, doi:
10.1021/acs.jpca.0c11296.'
mla: Pylaeva, Svetlana, et al. “Organic Mixed-Valence Compounds and the Overhauser
Effect in Insulating Solids.” The Journal of Physical Chemistry A, vol.
125, no. 3, American Chemical Society (ACS), 2021, pp. 867–74, doi:10.1021/acs.jpca.0c11296.
short: S. Pylaeva, P. Marx, G. Singh, T. Kühne, M. Roemelt, H. Elgabarty, The Journal
of Physical Chemistry A 125 (2021) 867–874.
date_created: 2022-10-10T08:10:52Z
date_updated: 2022-10-10T08:11:18Z
department:
- _id: '613'
doi: 10.1021/acs.jpca.0c11296
intvolume: ' 125'
issue: '3'
keyword:
- Physical and Theoretical Chemistry
language:
- iso: eng
page: 867-874
publication: The Journal of Physical Chemistry A
publication_identifier:
issn:
- 1089-5639
- 1520-5215
publication_status: published
publisher: American Chemical Society (ACS)
status: public
title: Organic Mixed-Valence Compounds and the Overhauser Effect in Insulating Solids
type: journal_article
user_id: '71051'
volume: 125
year: '2021'
...
---
_id: '33649'
article_number: '2000269'
author:
- first_name: Jan
full_name: Kessler, Jan
id: '65425'
last_name: Kessler
orcid: 0000-0002-8705-6992
- first_name: Francesco
full_name: Calcavecchia, Francesco
last_name: Calcavecchia
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
citation:
ama: Kessler J, Calcavecchia F, Kühne T. Artificial Neural Networks as Trial Wave
Functions for Quantum Monte Carlo. Advanced Theory and Simulations. 2021;4(4).
doi:10.1002/adts.202000269
apa: Kessler, J., Calcavecchia, F., & Kühne, T. (2021). Artificial Neural Networks
as Trial Wave Functions for Quantum Monte Carlo. Advanced Theory and Simulations,
4(4), Article 2000269. https://doi.org/10.1002/adts.202000269
bibtex: '@article{Kessler_Calcavecchia_Kühne_2021, title={Artificial Neural Networks
as Trial Wave Functions for Quantum Monte Carlo}, volume={4}, DOI={10.1002/adts.202000269},
number={42000269}, journal={Advanced Theory and Simulations}, publisher={Wiley},
author={Kessler, Jan and Calcavecchia, Francesco and Kühne, Thomas}, year={2021}
}'
chicago: Kessler, Jan, Francesco Calcavecchia, and Thomas Kühne. “Artificial Neural
Networks as Trial Wave Functions for Quantum Monte Carlo.” Advanced Theory
and Simulations 4, no. 4 (2021). https://doi.org/10.1002/adts.202000269.
ieee: 'J. Kessler, F. Calcavecchia, and T. Kühne, “Artificial Neural Networks as
Trial Wave Functions for Quantum Monte Carlo,” Advanced Theory and Simulations,
vol. 4, no. 4, Art. no. 2000269, 2021, doi: 10.1002/adts.202000269.'
mla: Kessler, Jan, et al. “Artificial Neural Networks as Trial Wave Functions for
Quantum Monte Carlo.” Advanced Theory and Simulations, vol. 4, no. 4, 2000269,
Wiley, 2021, doi:10.1002/adts.202000269.
short: J. Kessler, F. Calcavecchia, T. Kühne, Advanced Theory and Simulations 4
(2021).
date_created: 2022-10-10T08:15:23Z
date_updated: 2022-10-10T08:15:37Z
department:
- _id: '613'
doi: 10.1002/adts.202000269
intvolume: ' 4'
issue: '4'
keyword:
- Multidisciplinary
- Modeling and Simulation
- Numerical Analysis
- Statistics and Probability
language:
- iso: eng
publication: Advanced Theory and Simulations
publication_identifier:
issn:
- 2513-0390
- 2513-0390
publication_status: published
publisher: Wiley
status: public
title: Artificial Neural Networks as Trial Wave Functions for Quantum Monte Carlo
type: journal_article
user_id: '71051'
volume: 4
year: '2021'
...
---
_id: '33648'
article_number: '074107'
author:
- first_name: Alireza
full_name: Ghasemi, Alireza
id: '77282'
last_name: Ghasemi
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
citation:
ama: Ghasemi A, Kühne T. Artificial neural networks for the kinetic energy functional
of non-interacting fermions. The Journal of Chemical Physics. 2021;154(7).
doi:10.1063/5.0037319
apa: Ghasemi, A., & Kühne, T. (2021). Artificial neural networks for the kinetic
energy functional of non-interacting fermions. The Journal of Chemical Physics,
154(7), Article 074107. https://doi.org/10.1063/5.0037319
bibtex: '@article{Ghasemi_Kühne_2021, title={Artificial neural networks for the
kinetic energy functional of non-interacting fermions}, volume={154}, DOI={10.1063/5.0037319}, number={7074107},
journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Ghasemi,
Alireza and Kühne, Thomas}, year={2021} }'
chicago: Ghasemi, Alireza, and Thomas Kühne. “Artificial Neural Networks for the
Kinetic Energy Functional of Non-Interacting Fermions.” The Journal of Chemical
Physics 154, no. 7 (2021). https://doi.org/10.1063/5.0037319.
ieee: 'A. Ghasemi and T. Kühne, “Artificial neural networks for the kinetic energy
functional of non-interacting fermions,” The Journal of Chemical Physics,
vol. 154, no. 7, Art. no. 074107, 2021, doi: 10.1063/5.0037319.'
mla: Ghasemi, Alireza, and Thomas Kühne. “Artificial Neural Networks for the Kinetic
Energy Functional of Non-Interacting Fermions.” The Journal of Chemical Physics,
vol. 154, no. 7, 074107, AIP Publishing, 2021, doi:10.1063/5.0037319.
short: A. Ghasemi, T. Kühne, The Journal of Chemical Physics 154 (2021).
date_created: 2022-10-10T08:14:44Z
date_updated: 2022-10-10T08:14:57Z
department:
- _id: '613'
doi: 10.1063/5.0037319
intvolume: ' 154'
issue: '7'
keyword:
- Physical and Theoretical Chemistry
- General Physics and Astronomy
language:
- iso: eng
publication: The Journal of Chemical Physics
publication_identifier:
issn:
- 0021-9606
- 1089-7690
publication_status: published
publisher: AIP Publishing
status: public
title: Artificial neural networks for the kinetic energy functional of non-interacting
fermions
type: journal_article
user_id: '71051'
volume: 154
year: '2021'
...
---
_id: '33655'
abstract:
- lang: eng
text: "Abstract\r\n Dual-ion batteries
are considered to be an emerging viable energy storage technology owing to their
safety, high power capability, low cost, and scalability. Intercalation of anions
into a graphite positive electrode provides high operating voltage and improved
energy density to such dual-ion batteries. In this work, we have performed a combinatorial
study of graphite intercalation compounds considering four anions, namely hexafluorophosphate
(PF\r\n \r\n\r\n\r\n
\ \r\n \r\n \r\n \r\n 6\r\n
\ \r\n \r\n
\ −\r\n \r\n
\ \r\n \r\n
\ \r\n ),
perchlorate (ClO\r\n \r\n\r\n\r\n \r\n \r\n \r\n \r\n 4\r\n
\ \r\n \r\n
\ −\r\n \r\n
\ \r\n \r\n
\ \r\n ),
bis(fluorosulfonyl)imide (FSI−), and bis(trifluoromethanesulfonyl)imide
(TFSI−), via first-principles calculations. The structural
properties and energetics of the intercalation compounds are compared based on
different sizes, geometries, and the physical and chemical properties of the intercalated
anions. The staging mechanism of anion intercalation into graphite and the specific
capacities, and voltage profiles of the intercalated compounds are investigated.
A comparison regarding battery electrochemistry is also done with available experimental
observations. Our calculated intercalation energies and voltage profiles show
that the initial anion intercalation into graphite is less favorable than subsequent
ones for all the anions considered in this study. Although the effect of the size
of anions in a graphite cathode on various properties of the intercalated compounds
is not as significant as the size of cations in a graphite anode, some distinction
between the studied anions can still be made. Among the studied anions, the intercalation
compounds based on PF\r\n \r\n\r\n\r\n \r\n \r\n \r\n \r\n 6\r\n
\ \r\n \r\n
\ −\r\n \r\n
\ \r\n \r\n
\ \r\n
are the most stable ones. These PF\r\n \r\n\r\n\r\n \r\n \r\n \r\n \r\n 6\r\n
\ \r\n \r\n
\ −\r\n \r\n
\ \r\n \r\n
\ \r\n
anions cause relatively small structural deformations of the graphite and have
the highest oxidative ability, highest onset voltage, and highest diffusion barrier
along the graphene sheets. The overall small diffusion barriers of the anions
within graphite explain the high rate capability of dual-ion batteries."
article_number: '085502'
author:
- first_name: Manjusha
full_name: Chugh, Manjusha
id: '71511'
last_name: Chugh
- first_name: Mitisha
full_name: Jain, Mitisha
last_name: Jain
- first_name: Gang
full_name: Wang, Gang
last_name: Wang
- first_name: Ali Shaygan
full_name: Nia, Ali Shaygan
last_name: Nia
- first_name: Hossein
full_name: Mirhosseini, Hossein
id: '71051'
last_name: Mirhosseini
orcid: 0000-0001-6179-1545
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
citation:
ama: Chugh M, Jain M, Wang G, Nia AS, Mirhosseini H, Kühne T. A combinatorial study
of electrochemical anion intercalation into graphite. Materials Research Express.
2021;8(8). doi:10.1088/2053-1591/ac1965
apa: Chugh, M., Jain, M., Wang, G., Nia, A. S., Mirhosseini, H., & Kühne, T.
(2021). A combinatorial study of electrochemical anion intercalation into graphite.
Materials Research Express, 8(8), Article 085502. https://doi.org/10.1088/2053-1591/ac1965
bibtex: '@article{Chugh_Jain_Wang_Nia_Mirhosseini_Kühne_2021, title={A combinatorial
study of electrochemical anion intercalation into graphite}, volume={8}, DOI={10.1088/2053-1591/ac1965},
number={8085502}, journal={Materials Research Express}, publisher={IOP Publishing},
author={Chugh, Manjusha and Jain, Mitisha and Wang, Gang and Nia, Ali Shaygan
and Mirhosseini, Hossein and Kühne, Thomas}, year={2021} }'
chicago: Chugh, Manjusha, Mitisha Jain, Gang Wang, Ali Shaygan Nia, Hossein Mirhosseini,
and Thomas Kühne. “A Combinatorial Study of Electrochemical Anion Intercalation
into Graphite.” Materials Research Express 8, no. 8 (2021). https://doi.org/10.1088/2053-1591/ac1965.
ieee: 'M. Chugh, M. Jain, G. Wang, A. S. Nia, H. Mirhosseini, and T. Kühne, “A combinatorial
study of electrochemical anion intercalation into graphite,” Materials Research
Express, vol. 8, no. 8, Art. no. 085502, 2021, doi: 10.1088/2053-1591/ac1965.'
mla: Chugh, Manjusha, et al. “A Combinatorial Study of Electrochemical Anion Intercalation
into Graphite.” Materials Research Express, vol. 8, no. 8, 085502, IOP
Publishing, 2021, doi:10.1088/2053-1591/ac1965.
short: M. Chugh, M. Jain, G. Wang, A.S. Nia, H. Mirhosseini, T. Kühne, Materials
Research Express 8 (2021).
date_created: 2022-10-10T08:22:50Z
date_updated: 2022-10-10T08:23:07Z
department:
- _id: '613'
doi: 10.1088/2053-1591/ac1965
intvolume: ' 8'
issue: '8'
keyword:
- Metals and Alloys
- Polymers and Plastics
- Surfaces
- Coatings and Films
- Biomaterials
- Electronic
- Optical and Magnetic Materials
language:
- iso: eng
publication: Materials Research Express
publication_identifier:
issn:
- 2053-1591
publication_status: published
publisher: IOP Publishing
status: public
title: A combinatorial study of electrochemical anion intercalation into graphite
type: journal_article
user_id: '71051'
volume: 8
year: '2021'
...
---
_id: '33658'
abstract:
- lang: eng
text: We demonstrate how to fully ascribe Raman peaks simulated using ab
initio molecular dynamics to specific vibrations in the structure at finite temperatures
by means of Wannier functions. Here, we adopt our newly introduced method for
the simulation of the Raman spectra in which the total polarizability of the system
is expressed as a sum over Wannier polarizabilities. The assignment is then based
on the calculation of partial Raman activities arising from self- and/or cross-correlations
between different types of Wannier functions in the system. Different types of
Wannier functions can be distinguished based on their spatial spread. To demonstrate
the predictive power of this approach, we applied it to the case of a cyclohexane
molecule in the gas phase and were able to fully assign the simulated Raman peaks.
article_number: '1212'
author:
- first_name: Pouya
full_name: Partovi-Azar, Pouya
last_name: Partovi-Azar
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
citation:
ama: 'Partovi-Azar P, Kühne T. Full Assignment of Ab-Initio Raman Spectra at Finite
Temperatures Using Wannier Polarizabilities: Application to Cyclohexane Molecule
in Gas Phase. Micromachines. 2021;12(10). doi:10.3390/mi12101212'
apa: 'Partovi-Azar, P., & Kühne, T. (2021). Full Assignment of Ab-Initio Raman
Spectra at Finite Temperatures Using Wannier Polarizabilities: Application to
Cyclohexane Molecule in Gas Phase. Micromachines, 12(10), Article
1212. https://doi.org/10.3390/mi12101212'
bibtex: '@article{Partovi-Azar_Kühne_2021, title={Full Assignment of Ab-Initio Raman
Spectra at Finite Temperatures Using Wannier Polarizabilities: Application to
Cyclohexane Molecule in Gas Phase}, volume={12}, DOI={10.3390/mi12101212},
number={101212}, journal={Micromachines}, publisher={MDPI AG}, author={Partovi-Azar,
Pouya and Kühne, Thomas}, year={2021} }'
chicago: 'Partovi-Azar, Pouya, and Thomas Kühne. “Full Assignment of Ab-Initio Raman
Spectra at Finite Temperatures Using Wannier Polarizabilities: Application to
Cyclohexane Molecule in Gas Phase.” Micromachines 12, no. 10 (2021). https://doi.org/10.3390/mi12101212.'
ieee: 'P. Partovi-Azar and T. Kühne, “Full Assignment of Ab-Initio Raman Spectra
at Finite Temperatures Using Wannier Polarizabilities: Application to Cyclohexane
Molecule in Gas Phase,” Micromachines, vol. 12, no. 10, Art. no. 1212,
2021, doi: 10.3390/mi12101212.'
mla: 'Partovi-Azar, Pouya, and Thomas Kühne. “Full Assignment of Ab-Initio Raman
Spectra at Finite Temperatures Using Wannier Polarizabilities: Application to
Cyclohexane Molecule in Gas Phase.” Micromachines, vol. 12, no. 10, 1212,
MDPI AG, 2021, doi:10.3390/mi12101212.'
short: P. Partovi-Azar, T. Kühne, Micromachines 12 (2021).
date_created: 2022-10-10T08:24:47Z
date_updated: 2022-10-10T08:24:57Z
department:
- _id: '613'
doi: 10.3390/mi12101212
intvolume: ' 12'
issue: '10'
keyword:
- Electrical and Electronic Engineering
- Mechanical Engineering
- Control and Systems Engineering
language:
- iso: eng
publication: Micromachines
publication_identifier:
issn:
- 2072-666X
publication_status: published
publisher: MDPI AG
status: public
title: 'Full Assignment of Ab-Initio Raman Spectra at Finite Temperatures Using Wannier
Polarizabilities: Application to Cyclohexane Molecule in Gas Phase'
type: journal_article
user_id: '71051'
volume: 12
year: '2021'
...
---
_id: '33651'
author:
- first_name: Sudhir K.
full_name: Sahoo, Sudhir K.
last_name: Sahoo
- first_name: Ivo F.
full_name: Teixeira, Ivo F.
last_name: Teixeira
- first_name: Aakash
full_name: Naik, Aakash
last_name: Naik
- first_name: Julian Joachim
full_name: Heske, Julian Joachim
id: '53238'
last_name: Heske
- first_name: Daniel
full_name: Cruz, Daniel
last_name: Cruz
- first_name: Markus
full_name: Antonietti, Markus
last_name: Antonietti
- first_name: Aleksandr
full_name: Savateev, Aleksandr
last_name: Savateev
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
citation:
ama: Sahoo SK, Teixeira IF, Naik A, et al. Photocatalytic Water Splitting Reaction
Catalyzed by Ion-Exchanged Salts of Potassium Poly(heptazine imide) 2D Materials.
The Journal of Physical Chemistry C. 2021;125(25):13749-13758. doi:10.1021/acs.jpcc.1c03947
apa: Sahoo, S. K., Teixeira, I. F., Naik, A., Heske, J. J., Cruz, D., Antonietti,
M., Savateev, A., & Kühne, T. (2021). Photocatalytic Water Splitting Reaction
Catalyzed by Ion-Exchanged Salts of Potassium Poly(heptazine imide) 2D Materials.
The Journal of Physical Chemistry C, 125(25), 13749–13758. https://doi.org/10.1021/acs.jpcc.1c03947
bibtex: '@article{Sahoo_Teixeira_Naik_Heske_Cruz_Antonietti_Savateev_Kühne_2021,
title={Photocatalytic Water Splitting Reaction Catalyzed by Ion-Exchanged Salts
of Potassium Poly(heptazine imide) 2D Materials}, volume={125}, DOI={10.1021/acs.jpcc.1c03947},
number={25}, journal={The Journal of Physical Chemistry C}, publisher={American
Chemical Society (ACS)}, author={Sahoo, Sudhir K. and Teixeira, Ivo F. and Naik,
Aakash and Heske, Julian Joachim and Cruz, Daniel and Antonietti, Markus and Savateev,
Aleksandr and Kühne, Thomas}, year={2021}, pages={13749–13758} }'
chicago: 'Sahoo, Sudhir K., Ivo F. Teixeira, Aakash Naik, Julian Joachim Heske,
Daniel Cruz, Markus Antonietti, Aleksandr Savateev, and Thomas Kühne. “Photocatalytic
Water Splitting Reaction Catalyzed by Ion-Exchanged Salts of Potassium Poly(Heptazine
Imide) 2D Materials.” The Journal of Physical Chemistry C 125, no. 25 (2021):
13749–58. https://doi.org/10.1021/acs.jpcc.1c03947.'
ieee: 'S. K. Sahoo et al., “Photocatalytic Water Splitting Reaction Catalyzed
by Ion-Exchanged Salts of Potassium Poly(heptazine imide) 2D Materials,” The
Journal of Physical Chemistry C, vol. 125, no. 25, pp. 13749–13758, 2021,
doi: 10.1021/acs.jpcc.1c03947.'
mla: Sahoo, Sudhir K., et al. “Photocatalytic Water Splitting Reaction Catalyzed
by Ion-Exchanged Salts of Potassium Poly(Heptazine Imide) 2D Materials.” The
Journal of Physical Chemistry C, vol. 125, no. 25, American Chemical Society
(ACS), 2021, pp. 13749–58, doi:10.1021/acs.jpcc.1c03947.
short: S.K. Sahoo, I.F. Teixeira, A. Naik, J.J. Heske, D. Cruz, M. Antonietti, A.
Savateev, T. Kühne, The Journal of Physical Chemistry C 125 (2021) 13749–13758.
date_created: 2022-10-10T08:17:26Z
date_updated: 2022-10-10T08:18:22Z
department:
- _id: '613'
doi: 10.1021/acs.jpcc.1c03947
intvolume: ' 125'
issue: '25'
keyword:
- Surfaces
- Coatings and Films
- Physical and Theoretical Chemistry
- General Energy
- Electronic
- Optical and Magnetic Materials
language:
- iso: eng
page: 13749-13758
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: Photocatalytic Water Splitting Reaction Catalyzed by Ion-Exchanged Salts of
Potassium Poly(heptazine imide) 2D Materials
type: journal_article
user_id: '71051'
volume: 125
year: '2021'
...
---
_id: '33657'
article_number: '110567'
author:
- first_name: Hossein
full_name: Mirhosseini, Hossein
id: '71051'
last_name: Mirhosseini
orcid: 0000-0001-6179-1545
- first_name: Hossein
full_name: Tahmasbi, Hossein
last_name: Tahmasbi
- first_name: Sai Ram
full_name: Kuchana, Sai Ram
last_name: Kuchana
- first_name: Alireza
full_name: Ghasemi, Alireza
id: '77282'
last_name: Ghasemi
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
citation:
ama: Mirhosseini H, Tahmasbi H, Kuchana SR, Ghasemi A, Kühne T. An automated approach
for developing neural network interatomic potentials with FLAME. Computational
Materials Science. 2021;197. doi:10.1016/j.commatsci.2021.110567
apa: Mirhosseini, H., Tahmasbi, H., Kuchana, S. R., Ghasemi, A., & Kühne, T.
(2021). An automated approach for developing neural network interatomic potentials
with FLAME. Computational Materials Science, 197, Article 110567.
https://doi.org/10.1016/j.commatsci.2021.110567
bibtex: '@article{Mirhosseini_Tahmasbi_Kuchana_Ghasemi_Kühne_2021, title={An automated
approach for developing neural network interatomic potentials with FLAME}, volume={197},
DOI={10.1016/j.commatsci.2021.110567},
number={110567}, journal={Computational Materials Science}, publisher={Elsevier
BV}, author={Mirhosseini, Hossein and Tahmasbi, Hossein and Kuchana, Sai Ram and
Ghasemi, Alireza and Kühne, Thomas}, year={2021} }'
chicago: Mirhosseini, Hossein, Hossein Tahmasbi, Sai Ram Kuchana, Alireza Ghasemi,
and Thomas Kühne. “An Automated Approach for Developing Neural Network Interatomic
Potentials with FLAME.” Computational Materials Science 197 (2021). https://doi.org/10.1016/j.commatsci.2021.110567.
ieee: 'H. Mirhosseini, H. Tahmasbi, S. R. Kuchana, A. Ghasemi, and T. Kühne, “An
automated approach for developing neural network interatomic potentials with FLAME,”
Computational Materials Science, vol. 197, Art. no. 110567, 2021, doi:
10.1016/j.commatsci.2021.110567.'
mla: Mirhosseini, Hossein, et al. “An Automated Approach for Developing Neural Network
Interatomic Potentials with FLAME.” Computational Materials Science, vol.
197, 110567, Elsevier BV, 2021, doi:10.1016/j.commatsci.2021.110567.
short: H. Mirhosseini, H. Tahmasbi, S.R. Kuchana, A. Ghasemi, T. Kühne, Computational
Materials Science 197 (2021).
date_created: 2022-10-10T08:23:50Z
date_updated: 2022-10-10T08:24:13Z
department:
- _id: '613'
doi: 10.1016/j.commatsci.2021.110567
intvolume: ' 197'
keyword:
- Computational Mathematics
- General Physics and Astronomy
- Mechanics of Materials
- General Materials Science
- General Chemistry
- General Computer Science
language:
- iso: eng
publication: Computational Materials Science
publication_identifier:
issn:
- 0927-0256
publication_status: published
publisher: Elsevier BV
status: public
title: An automated approach for developing neural network interatomic potentials
with FLAME
type: journal_article
user_id: '71051'
volume: 197
year: '2021'
...
---
_id: '33654'
author:
- first_name: Vasileios
full_name: Balos, Vasileios
last_name: Balos
- first_name: Hossam
full_name: Elgabarty, Hossam
id: '60250'
last_name: Elgabarty
orcid: 0000-0002-4945-1481
- first_name: Martin
full_name: Wolf, Martin
last_name: Wolf
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
- first_name: Roland
full_name: Netz, Roland
last_name: Netz
- first_name: Douwe Jan
full_name: Bonthuis, Douwe Jan
last_name: Bonthuis
- first_name: Naveen
full_name: Kaliannan, Naveen
last_name: Kaliannan
- first_name: Philip
full_name: Loche, Philip
last_name: Loche
- first_name: Tobias
full_name: Kampfrath, Tobias
last_name: Kampfrath
- first_name: Mohsen
full_name: Sajadi, Mohsen
last_name: Sajadi
citation:
ama: 'Balos V, Elgabarty H, Wolf M, et al. Ultrafast solvent-to-solvent and solvent-to-solute
energy transfer driven by single-cycle THz electric fields. In: Razeghi M, Baranov
AN, eds. Terahertz Emitters, Receivers, and Applications XII. SPIE; 2021.
doi:10.1117/12.2594143'
apa: Balos, V., Elgabarty, H., Wolf, M., Kühne, T., Netz, R., Bonthuis, D. J., Kaliannan,
N., Loche, P., Kampfrath, T., & Sajadi, M. (2021). Ultrafast solvent-to-solvent
and solvent-to-solute energy transfer driven by single-cycle THz electric fields.
In M. Razeghi & A. N. Baranov (Eds.), Terahertz Emitters, Receivers, and
Applications XII. SPIE. https://doi.org/10.1117/12.2594143
bibtex: '@inproceedings{Balos_Elgabarty_Wolf_Kühne_Netz_Bonthuis_Kaliannan_Loche_Kampfrath_Sajadi_2021,
title={Ultrafast solvent-to-solvent and solvent-to-solute energy transfer driven
by single-cycle THz electric fields}, DOI={10.1117/12.2594143},
booktitle={Terahertz Emitters, Receivers, and Applications XII}, publisher={SPIE},
author={Balos, Vasileios and Elgabarty, Hossam and Wolf, Martin and Kühne, Thomas
and Netz, Roland and Bonthuis, Douwe Jan and Kaliannan, Naveen and Loche, Philip
and Kampfrath, Tobias and Sajadi, Mohsen}, editor={Razeghi, Manijeh and Baranov,
Alexei N.}, year={2021} }'
chicago: Balos, Vasileios, Hossam Elgabarty, Martin Wolf, Thomas Kühne, Roland Netz,
Douwe Jan Bonthuis, Naveen Kaliannan, Philip Loche, Tobias Kampfrath, and Mohsen
Sajadi. “Ultrafast Solvent-to-Solvent and Solvent-to-Solute Energy Transfer Driven
by Single-Cycle THz Electric Fields.” In Terahertz Emitters, Receivers, and
Applications XII, edited by Manijeh Razeghi and Alexei N. Baranov. SPIE, 2021.
https://doi.org/10.1117/12.2594143.
ieee: 'V. Balos et al., “Ultrafast solvent-to-solvent and solvent-to-solute
energy transfer driven by single-cycle THz electric fields,” in Terahertz Emitters,
Receivers, and Applications XII, 2021, doi: 10.1117/12.2594143.'
mla: Balos, Vasileios, et al. “Ultrafast Solvent-to-Solvent and Solvent-to-Solute
Energy Transfer Driven by Single-Cycle THz Electric Fields.” Terahertz Emitters,
Receivers, and Applications XII, edited by Manijeh Razeghi and Alexei N. Baranov,
SPIE, 2021, doi:10.1117/12.2594143.
short: 'V. Balos, H. Elgabarty, M. Wolf, T. Kühne, R. Netz, D.J. Bonthuis, N. Kaliannan,
P. Loche, T. Kampfrath, M. Sajadi, in: M. Razeghi, A.N. Baranov (Eds.), Terahertz
Emitters, Receivers, and Applications XII, SPIE, 2021.'
date_created: 2022-10-10T08:21:46Z
date_updated: 2022-10-10T08:22:17Z
department:
- _id: '613'
doi: 10.1117/12.2594143
editor:
- first_name: Manijeh
full_name: Razeghi, Manijeh
last_name: Razeghi
- first_name: Alexei N.
full_name: Baranov, Alexei N.
last_name: Baranov
language:
- iso: eng
publication: Terahertz Emitters, Receivers, and Applications XII
publication_status: published
publisher: SPIE
status: public
title: Ultrafast solvent-to-solvent and solvent-to-solute energy transfer driven by
single-cycle THz electric fields
type: conference
user_id: '71051'
year: '2021'
...
---
_id: '33656'
author:
- first_name: Mengying
full_name: Wang, Mengying
last_name: Wang
- first_name: Ahmad
full_name: Ranjbar, Ahmad
last_name: Ranjbar
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
- first_name: Rodion V.
full_name: Belosludov, Rodion V.
last_name: Belosludov
- first_name: Yoshiyuki
full_name: Kawazoe, Yoshiyuki
last_name: Kawazoe
- first_name: Yunye
full_name: Liang, Yunye
last_name: Liang
citation:
ama: 'Wang M, Ranjbar A, Kühne T, Belosludov RV, Kawazoe Y, Liang Y. A theoretical
investigation of topological phase modulation in carbide MXenes: Role of image
potential states. Carbon. 2021;181:370-378. doi:10.1016/j.carbon.2021.05.026'
apa: 'Wang, M., Ranjbar, A., Kühne, T., Belosludov, R. V., Kawazoe, Y., & Liang,
Y. (2021). A theoretical investigation of topological phase modulation in carbide
MXenes: Role of image potential states. Carbon, 181, 370–378. https://doi.org/10.1016/j.carbon.2021.05.026'
bibtex: '@article{Wang_Ranjbar_Kühne_Belosludov_Kawazoe_Liang_2021, title={A theoretical
investigation of topological phase modulation in carbide MXenes: Role of image
potential states}, volume={181}, DOI={10.1016/j.carbon.2021.05.026},
journal={Carbon}, publisher={Elsevier BV}, author={Wang, Mengying and Ranjbar,
Ahmad and Kühne, Thomas and Belosludov, Rodion V. and Kawazoe, Yoshiyuki and Liang,
Yunye}, year={2021}, pages={370–378} }'
chicago: 'Wang, Mengying, Ahmad Ranjbar, Thomas Kühne, Rodion V. Belosludov, Yoshiyuki
Kawazoe, and Yunye Liang. “A Theoretical Investigation of Topological Phase Modulation
in Carbide MXenes: Role of Image Potential States.” Carbon 181 (2021):
370–78. https://doi.org/10.1016/j.carbon.2021.05.026.'
ieee: 'M. Wang, A. Ranjbar, T. Kühne, R. V. Belosludov, Y. Kawazoe, and Y. Liang,
“A theoretical investigation of topological phase modulation in carbide MXenes:
Role of image potential states,” Carbon, vol. 181, pp. 370–378, 2021, doi:
10.1016/j.carbon.2021.05.026.'
mla: 'Wang, Mengying, et al. “A Theoretical Investigation of Topological Phase Modulation
in Carbide MXenes: Role of Image Potential States.” Carbon, vol. 181, Elsevier
BV, 2021, pp. 370–78, doi:10.1016/j.carbon.2021.05.026.'
short: M. Wang, A. Ranjbar, T. Kühne, R.V. Belosludov, Y. Kawazoe, Y. Liang, Carbon
181 (2021) 370–378.
date_created: 2022-10-10T08:23:22Z
date_updated: 2022-10-10T08:23:35Z
department:
- _id: '613'
doi: 10.1016/j.carbon.2021.05.026
intvolume: ' 181'
keyword:
- General Chemistry
- General Materials Science
language:
- iso: eng
page: 370-378
publication: Carbon
publication_identifier:
issn:
- 0008-6223
publication_status: published
publisher: Elsevier BV
status: public
title: 'A theoretical investigation of topological phase modulation in carbide MXenes:
Role of image potential states'
type: journal_article
user_id: '71051'
volume: 181
year: '2021'
...
---
_id: '33659'
abstract:
- lang: eng
text: "Abstract\r\n We performed
a virtual materials screening to identify promising topological materials for
photocatalytic water splitting under visible light irradiation. Topological compounds
were screened based on band gap, band edge energy, and thermodynamics stability
criteria. In addition, topological types for our final candidates were computed
based on electronic structures calculated usingthe hybrid density functional theory
including exact Hartree–Fock exchange. Our final list contains materials which
have band gaps between 1.0 and 2.7 eV in addition to band edge energies suitable
for water oxidation and reduction. However, the topological types of these compounds
calculated with the hybrid functional differ from those reported previously. To
that end, we discuss the importance of computational methods for the calculation
of atomic and electronic structures in materials screening processes."
article_number: '015001'
author:
- first_name: Ahmad
full_name: Ranjbar, Ahmad
last_name: Ranjbar
- first_name: Hossein
full_name: Mirhosseini, Hossein
id: '71051'
last_name: Mirhosseini
orcid: 0000-0001-6179-1545
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
citation:
ama: 'Ranjbar A, Mirhosseini H, Kühne T. On topological materials as photocatalysts
for water splitting by visible light. Journal of Physics: Materials. 2021;5(1).
doi:10.1088/2515-7639/ac363d'
apa: 'Ranjbar, A., Mirhosseini, H., & Kühne, T. (2021). On topological materials
as photocatalysts for water splitting by visible light. Journal of Physics:
Materials, 5(1), Article 015001. https://doi.org/10.1088/2515-7639/ac363d'
bibtex: '@article{Ranjbar_Mirhosseini_Kühne_2021, title={On topological materials
as photocatalysts for water splitting by visible light}, volume={5}, DOI={10.1088/2515-7639/ac363d},
number={1015001}, journal={Journal of Physics: Materials}, publisher={IOP Publishing},
author={Ranjbar, Ahmad and Mirhosseini, Hossein and Kühne, Thomas}, year={2021}
}'
chicago: 'Ranjbar, Ahmad, Hossein Mirhosseini, and Thomas Kühne. “On Topological
Materials as Photocatalysts for Water Splitting by Visible Light.” Journal
of Physics: Materials 5, no. 1 (2021). https://doi.org/10.1088/2515-7639/ac363d.'
ieee: 'A. Ranjbar, H. Mirhosseini, and T. Kühne, “On topological materials as photocatalysts
for water splitting by visible light,” Journal of Physics: Materials, vol.
5, no. 1, Art. no. 015001, 2021, doi: 10.1088/2515-7639/ac363d.'
mla: 'Ranjbar, Ahmad, et al. “On Topological Materials as Photocatalysts for Water
Splitting by Visible Light.” Journal of Physics: Materials, vol. 5, no.
1, 015001, IOP Publishing, 2021, doi:10.1088/2515-7639/ac363d.'
short: 'A. Ranjbar, H. Mirhosseini, T. Kühne, Journal of Physics: Materials 5 (2021).'
date_created: 2022-10-10T08:25:19Z
date_updated: 2022-10-10T08:25:30Z
department:
- _id: '613'
doi: 10.1088/2515-7639/ac363d
intvolume: ' 5'
issue: '1'
keyword:
- Condensed Matter Physics
- General Materials Science
- Atomic and Molecular Physics
- and Optics
language:
- iso: eng
publication: 'Journal of Physics: Materials'
publication_identifier:
issn:
- 2515-7639
publication_status: published
publisher: IOP Publishing
status: public
title: On topological materials as photocatalysts for water splitting by visible light
type: journal_article
user_id: '71051'
volume: 5
year: '2021'
...
---
_id: '33681'
article_number: '120965'
author:
- first_name: Marcos A.R.
full_name: da Silva, Marcos A.R.
last_name: da Silva
- first_name: Ingrid F.
full_name: Silva, Ingrid F.
last_name: Silva
- first_name: Qi
full_name: Xue, Qi
last_name: Xue
- first_name: Benedict T.W.
full_name: Lo, Benedict T.W.
last_name: Lo
- first_name: Nadezda V.
full_name: Tarakina, Nadezda V.
last_name: Tarakina
- first_name: Barbara N.
full_name: Nunes, Barbara N.
last_name: Nunes
- first_name: Peter
full_name: Adler, Peter
last_name: Adler
- first_name: Sudhir K.
full_name: Sahoo, Sudhir K.
last_name: Sahoo
- first_name: Detlef W.
full_name: Bahnemann, Detlef W.
last_name: Bahnemann
- first_name: Nieves
full_name: López-Salas, Nieves
last_name: López-Salas
- first_name: Aleksandr
full_name: Savateev, Aleksandr
last_name: Savateev
- first_name: Caue
full_name: Ribeiro, Caue
last_name: Ribeiro
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
- first_name: Markus
full_name: Antonietti, Markus
last_name: Antonietti
- first_name: Ivo F.
full_name: Teixeira, Ivo F.
last_name: Teixeira
citation:
ama: 'da Silva MAR, Silva IF, Xue Q, et al. Sustainable oxidation catalysis supported
by light: Fe-poly (heptazine imide) as a heterogeneous single-atom photocatalyst.
Applied Catalysis B: Environmental. 2021;304. doi:10.1016/j.apcatb.2021.120965'
apa: 'da Silva, M. A. R., Silva, I. F., Xue, Q., Lo, B. T. W., Tarakina, N. V.,
Nunes, B. N., Adler, P., Sahoo, S. K., Bahnemann, D. W., López-Salas, N., Savateev,
A., Ribeiro, C., Kühne, T., Antonietti, M., & Teixeira, I. F. (2021). Sustainable
oxidation catalysis supported by light: Fe-poly (heptazine imide) as a heterogeneous
single-atom photocatalyst. Applied Catalysis B: Environmental, 304,
Article 120965. https://doi.org/10.1016/j.apcatb.2021.120965'
bibtex: '@article{da Silva_Silva_Xue_Lo_Tarakina_Nunes_Adler_Sahoo_Bahnemann_López-Salas_et
al._2021, title={Sustainable oxidation catalysis supported by light: Fe-poly (heptazine
imide) as a heterogeneous single-atom photocatalyst}, volume={304}, DOI={10.1016/j.apcatb.2021.120965},
number={120965}, journal={Applied Catalysis B: Environmental}, publisher={Elsevier
BV}, author={da Silva, Marcos A.R. and Silva, Ingrid F. and Xue, Qi and Lo, Benedict
T.W. and Tarakina, Nadezda V. and Nunes, Barbara N. and Adler, Peter and Sahoo,
Sudhir K. and Bahnemann, Detlef W. and López-Salas, Nieves and et al.}, year={2021}
}'
chicago: 'Silva, Marcos A.R. da, Ingrid F. Silva, Qi Xue, Benedict T.W. Lo, Nadezda
V. Tarakina, Barbara N. Nunes, Peter Adler, et al. “Sustainable Oxidation Catalysis
Supported by Light: Fe-Poly (Heptazine Imide) as a Heterogeneous Single-Atom Photocatalyst.”
Applied Catalysis B: Environmental 304 (2021). https://doi.org/10.1016/j.apcatb.2021.120965.'
ieee: 'M. A. R. da Silva et al., “Sustainable oxidation catalysis supported
by light: Fe-poly (heptazine imide) as a heterogeneous single-atom photocatalyst,”
Applied Catalysis B: Environmental, vol. 304, Art. no. 120965, 2021, doi:
10.1016/j.apcatb.2021.120965.'
mla: 'da Silva, Marcos A. R., et al. “Sustainable Oxidation Catalysis Supported
by Light: Fe-Poly (Heptazine Imide) as a Heterogeneous Single-Atom Photocatalyst.”
Applied Catalysis B: Environmental, vol. 304, 120965, Elsevier BV, 2021,
doi:10.1016/j.apcatb.2021.120965.'
short: 'M.A.R. da Silva, I.F. Silva, Q. Xue, B.T.W. Lo, N.V. Tarakina, B.N. Nunes,
P. Adler, S.K. Sahoo, D.W. Bahnemann, N. López-Salas, A. Savateev, C. Ribeiro,
T. Kühne, M. Antonietti, I.F. Teixeira, Applied Catalysis B: Environmental 304
(2021).'
date_created: 2022-10-11T08:14:22Z
date_updated: 2022-10-11T08:14:47Z
department:
- _id: '613'
doi: 10.1016/j.apcatb.2021.120965
intvolume: ' 304'
keyword:
- Process Chemistry and Technology
- General Environmental Science
- Catalysis
language:
- iso: eng
publication: 'Applied Catalysis B: Environmental'
publication_identifier:
issn:
- 0926-3373
publication_status: published
publisher: Elsevier BV
status: public
title: 'Sustainable oxidation catalysis supported by light: Fe-poly (heptazine imide)
as a heterogeneous single-atom photocatalyst'
type: journal_article
user_id: '71051'
volume: 304
year: '2021'
...
---
_id: '33675'
abstract:
- lang: eng
text: The influence of different polymer side chains on the vapor phase
infiltration with TMA is investigated and supported by DFT-calculations.
author:
- first_name: Lukas
full_name: Mai, Lukas
last_name: Mai
- first_name: Dina
full_name: Maniar, Dina
last_name: Maniar
- first_name: Frederik
full_name: Zysk, Frederik
id: '14757'
last_name: Zysk
- first_name: Judith
full_name: Schöbel, Judith
last_name: Schöbel
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
- first_name: Katja
full_name: Loos, Katja
last_name: Loos
- first_name: Anjana
full_name: Devi, Anjana
last_name: Devi
citation:
ama: Mai L, Maniar D, Zysk F, et al. Influence of different ester side groups in
polymers on the vapor phase infiltration with trimethyl aluminum. Dalton Transactions.
2021;51(4):1384-1394. doi:10.1039/d1dt03753f
apa: Mai, L., Maniar, D., Zysk, F., Schöbel, J., Kühne, T., Loos, K., & Devi,
A. (2021). Influence of different ester side groups in polymers on the vapor phase
infiltration with trimethyl aluminum. Dalton Transactions, 51(4),
1384–1394. https://doi.org/10.1039/d1dt03753f
bibtex: '@article{Mai_Maniar_Zysk_Schöbel_Kühne_Loos_Devi_2021, title={Influence
of different ester side groups in polymers on the vapor phase infiltration with
trimethyl aluminum}, volume={51}, DOI={10.1039/d1dt03753f},
number={4}, journal={Dalton Transactions}, publisher={Royal Society of Chemistry
(RSC)}, author={Mai, Lukas and Maniar, Dina and Zysk, Frederik and Schöbel, Judith
and Kühne, Thomas and Loos, Katja and Devi, Anjana}, year={2021}, pages={1384–1394}
}'
chicago: 'Mai, Lukas, Dina Maniar, Frederik Zysk, Judith Schöbel, Thomas Kühne,
Katja Loos, and Anjana Devi. “Influence of Different Ester Side Groups in Polymers
on the Vapor Phase Infiltration with Trimethyl Aluminum.” Dalton Transactions
51, no. 4 (2021): 1384–94. https://doi.org/10.1039/d1dt03753f.'
ieee: 'L. Mai et al., “Influence of different ester side groups in polymers
on the vapor phase infiltration with trimethyl aluminum,” Dalton Transactions,
vol. 51, no. 4, pp. 1384–1394, 2021, doi: 10.1039/d1dt03753f.'
mla: Mai, Lukas, et al. “Influence of Different Ester Side Groups in Polymers on
the Vapor Phase Infiltration with Trimethyl Aluminum.” Dalton Transactions,
vol. 51, no. 4, Royal Society of Chemistry (RSC), 2021, pp. 1384–94, doi:10.1039/d1dt03753f.
short: L. Mai, D. Maniar, F. Zysk, J. Schöbel, T. Kühne, K. Loos, A. Devi, Dalton
Transactions 51 (2021) 1384–1394.
date_created: 2022-10-11T08:08:11Z
date_updated: 2022-10-11T08:08:35Z
department:
- _id: '613'
doi: 10.1039/d1dt03753f
intvolume: ' 51'
issue: '4'
keyword:
- Inorganic Chemistry
language:
- iso: eng
page: 1384-1394
publication: Dalton Transactions
publication_identifier:
issn:
- 1477-9226
- 1477-9234
publication_status: published
publisher: Royal Society of Chemistry (RSC)
status: public
title: Influence of different ester side groups in polymers on the vapor phase infiltration
with trimethyl aluminum
type: journal_article
user_id: '71051'
volume: 51
year: '2021'
...
---
_id: '23728'
abstract:
- lang: eng
text: We demonstrate the integration of amorphous tungsten silicide superconducting
nanowire single-photon detectors on titanium in-diffused lithium niobate waveguides.
We show proof-of-principle detection of evanescently coupled photons of 1550 nm
wavelength using bidirectional waveguide coupling for two orthogonal polarization
directions. We investigate the internal detection efficiency as well as detector
absorption using coupling-independent characterization measurements. Furthermore,
we describe strategies to improve the yield and efficiency of these devices.
article_type: original
author:
- first_name: Jan Philipp
full_name: Höpker, Jan Philipp
id: '33913'
last_name: Höpker
- first_name: Varun B
full_name: Verma, Varun B
last_name: Verma
- first_name: Maximilian
full_name: Protte, Maximilian
id: '46170'
last_name: Protte
- first_name: Raimund
full_name: Ricken, Raimund
last_name: Ricken
- first_name: Viktor
full_name: Quiring, Viktor
last_name: Quiring
- first_name: Christof
full_name: Eigner, Christof
id: '13244'
last_name: Eigner
orcid: https://orcid.org/0000-0002-5693-3083
- first_name: Lena
full_name: Ebers, Lena
id: '40428'
last_name: Ebers
- first_name: Manfred
full_name: Hammer, Manfred
id: '48077'
last_name: Hammer
orcid: 0000-0002-6331-9348
- first_name: Jens
full_name: Förstner, Jens
id: '158'
last_name: Förstner
orcid: 0000-0001-7059-9862
- first_name: Christine
full_name: Silberhorn, Christine
id: '26263'
last_name: Silberhorn
- first_name: Richard P
full_name: Mirin, Richard P
last_name: Mirin
- first_name: Sae
full_name: Woo Nam, Sae
last_name: Woo Nam
- first_name: Tim
full_name: Bartley, Tim
id: '49683'
last_name: Bartley
citation:
ama: 'Höpker JP, Verma VB, Protte M, et al. Integrated superconducting nanowire
single-photon detectors on titanium in-diffused lithium niobate waveguides. Journal
of Physics: Photonics. 2021;3:034022. doi:10.1088/2515-7647/ac105b'
apa: 'Höpker, J. P., Verma, V. B., Protte, M., Ricken, R., Quiring, V., Eigner,
C., Ebers, L., Hammer, M., Förstner, J., Silberhorn, C., Mirin, R. P., Woo Nam,
S., & Bartley, T. (2021). Integrated superconducting nanowire single-photon
detectors on titanium in-diffused lithium niobate waveguides. Journal of Physics:
Photonics, 3, 034022. https://doi.org/10.1088/2515-7647/ac105b'
bibtex: '@article{Höpker_Verma_Protte_Ricken_Quiring_Eigner_Ebers_Hammer_Förstner_Silberhorn_et
al._2021, title={Integrated superconducting nanowire single-photon detectors on
titanium in-diffused lithium niobate waveguides}, volume={3}, DOI={10.1088/2515-7647/ac105b},
journal={Journal of Physics: Photonics}, author={Höpker, Jan Philipp and Verma,
Varun B and Protte, Maximilian and Ricken, Raimund and Quiring, Viktor and Eigner,
Christof and Ebers, Lena and Hammer, Manfred and Förstner, Jens and Silberhorn,
Christine and et al.}, year={2021}, pages={034022} }'
chicago: 'Höpker, Jan Philipp, Varun B Verma, Maximilian Protte, Raimund Ricken,
Viktor Quiring, Christof Eigner, Lena Ebers, et al. “Integrated Superconducting
Nanowire Single-Photon Detectors on Titanium in-Diffused Lithium Niobate Waveguides.”
Journal of Physics: Photonics 3 (2021): 034022. https://doi.org/10.1088/2515-7647/ac105b.'
ieee: 'J. P. Höpker et al., “Integrated superconducting nanowire single-photon
detectors on titanium in-diffused lithium niobate waveguides,” Journal of Physics:
Photonics, vol. 3, p. 034022, 2021, doi: 10.1088/2515-7647/ac105b.'
mla: 'Höpker, Jan Philipp, et al. “Integrated Superconducting Nanowire Single-Photon
Detectors on Titanium in-Diffused Lithium Niobate Waveguides.” Journal of Physics:
Photonics, vol. 3, 2021, p. 034022, doi:10.1088/2515-7647/ac105b.'
short: 'J.P. Höpker, V.B. Verma, M. Protte, R. Ricken, V. Quiring, C. Eigner, L.
Ebers, M. Hammer, J. Förstner, C. Silberhorn, R.P. Mirin, S. Woo Nam, T. Bartley,
Journal of Physics: Photonics 3 (2021) 034022.'
date_created: 2021-09-03T08:04:06Z
date_updated: 2022-10-25T07:34:42Z
ddc:
- '530'
department:
- _id: '15'
- _id: '61'
- _id: '230'
doi: 10.1088/2515-7647/ac105b
file:
- access_level: open_access
content_type: application/pdf
creator: fossie
date_created: 2021-09-07T07:41:04Z
date_updated: 2021-09-07T07:41:04Z
file_id: '23825'
file_name: 2021-07 Höpker J._Phys._Photonics_3_034022.pdf
file_size: 1097820
relation: main_file
file_date_updated: 2021-09-07T07:41:04Z
has_accepted_license: '1'
intvolume: ' 3'
language:
- iso: eng
oa: '1'
page: '034022'
project:
- _id: '53'
name: TRR 142
publication: 'Journal of Physics: Photonics'
publication_identifier:
issn:
- 2515-7647
publication_status: published
status: public
title: Integrated superconducting nanowire single-photon detectors on titanium in-diffused
lithium niobate waveguides
type: journal_article
user_id: '49683'
volume: 3
year: '2021'
...
---
_id: '34087'
author:
- first_name: Steffen
full_name: Knust, Steffen
last_name: Knust
- first_name: Lukas
full_name: Ruhm, Lukas
last_name: Ruhm
- first_name: Andreas
full_name: Kuhlmann, Andreas
last_name: Kuhlmann
- first_name: Dennis
full_name: Meinderink, Dennis
id: '32378'
last_name: Meinderink
orcid: 0000-0002-2755-6514
- first_name: Julius
full_name: Bürger, Julius
id: '46952'
last_name: Bürger
- first_name: Jörg
full_name: Lindner, Jörg
id: '20797'
last_name: Lindner
- first_name: Maria Teresa
full_name: de los Arcos de Pedro, Maria Teresa
id: '54556'
last_name: de los Arcos de Pedro
- first_name: Guido
full_name: Grundmeier, Guido
id: '194'
last_name: Grundmeier
citation:
ama: Knust S, Ruhm L, Kuhlmann A, et al. In situ backside Raman spectroscopy of
zinc oxide nanorods in an atmospheric‐pressure dielectric barrier discharge plasma.
Journal of Raman Spectroscopy. 2021;52(7):1237-1245. doi:10.1002/jrs.6123
apa: Knust, S., Ruhm, L., Kuhlmann, A., Meinderink, D., Bürger, J., Lindner, J.,
de los Arcos de Pedro, M. T., & Grundmeier, G. (2021). In situ backside Raman
spectroscopy of zinc oxide nanorods in an atmospheric‐pressure dielectric barrier
discharge plasma. Journal of Raman Spectroscopy, 52(7), 1237–1245.
https://doi.org/10.1002/jrs.6123
bibtex: '@article{Knust_Ruhm_Kuhlmann_Meinderink_Bürger_Lindner_de los Arcos de
Pedro_Grundmeier_2021, title={In situ backside Raman spectroscopy of zinc oxide
nanorods in an atmospheric‐pressure dielectric barrier discharge plasma}, volume={52},
DOI={10.1002/jrs.6123}, number={7},
journal={Journal of Raman Spectroscopy}, publisher={Wiley}, author={Knust, Steffen
and Ruhm, Lukas and Kuhlmann, Andreas and Meinderink, Dennis and Bürger, Julius
and Lindner, Jörg and de los Arcos de Pedro, Maria Teresa and Grundmeier, Guido},
year={2021}, pages={1237–1245} }'
chicago: 'Knust, Steffen, Lukas Ruhm, Andreas Kuhlmann, Dennis Meinderink, Julius
Bürger, Jörg Lindner, Maria Teresa de los Arcos de Pedro, and Guido Grundmeier.
“In Situ Backside Raman Spectroscopy of Zinc Oxide Nanorods in an Atmospheric‐pressure
Dielectric Barrier Discharge Plasma.” Journal of Raman Spectroscopy 52,
no. 7 (2021): 1237–45. https://doi.org/10.1002/jrs.6123.'
ieee: 'S. Knust et al., “In situ backside Raman spectroscopy of zinc oxide
nanorods in an atmospheric‐pressure dielectric barrier discharge plasma,” Journal
of Raman Spectroscopy, vol. 52, no. 7, pp. 1237–1245, 2021, doi: 10.1002/jrs.6123.'
mla: Knust, Steffen, et al. “In Situ Backside Raman Spectroscopy of Zinc Oxide Nanorods
in an Atmospheric‐pressure Dielectric Barrier Discharge Plasma.” Journal of
Raman Spectroscopy, vol. 52, no. 7, Wiley, 2021, pp. 1237–45, doi:10.1002/jrs.6123.
short: S. Knust, L. Ruhm, A. Kuhlmann, D. Meinderink, J. Bürger, J. Lindner, M.T.
de los Arcos de Pedro, G. Grundmeier, Journal of Raman Spectroscopy 52 (2021)
1237–1245.
date_created: 2022-11-15T14:08:53Z
date_updated: 2023-01-04T14:51:10Z
department:
- _id: '15'
doi: 10.1002/jrs.6123
intvolume: ' 52'
issue: '7'
keyword:
- Spectroscopy
- General Materials Science
language:
- iso: eng
page: 1237-1245
publication: Journal of Raman Spectroscopy
publication_identifier:
issn:
- 0377-0486
- 1097-4555
publication_status: published
publisher: Wiley
status: public
title: In situ backside Raman spectroscopy of zinc oxide nanorods in an atmospheric‐pressure
dielectric barrier discharge plasma
type: journal_article
user_id: '77496'
volume: 52
year: '2021'
...
---
_id: '35303'
abstract:
- lang: eng
text: "Abstract\r\n Purpose\r\n
\ Studies about effects of lunch dietary Glycemic Index
(GI) on cognition of schoolchildren are scarce. Our previous CogniDo GI study
found no changes of cognition in the early postprandial phase after consumption
of two rice types with medium vs. high dietary GI for lunch (i.e., 45 min after
starting lunch). This study investigated whether the dietary GI of lunch has an
impact on cognition of schoolchildren in the late postprandial phase, 90 min after
lunch.\r\n \r\n Methods\r\n
\ A randomized, 2 × 2 crossover intervention study was conducted
at a comprehensive school with 5th and 6th grade students. Participants (n = 212)
were randomly assigned to either sequence 1 or 2. In the first period, participants
of sequence 1 received a dish with high GI rice (GI: 79), those of sequence 2
with medium GI rice (GI: 64)—in the second period, 1 week later, vice versa. Computer-based
cognitive testing was performed 90 min after lunch examining tonic alertness,
visual search and task switching, and working memory. Treatment effects and treatment
effects adjusted for estimated lunch glycemic load (GL) were analyzed using a
linear mixed model.\r\n \r\n Results\r\n
\ The selected cognitive parameters were not affected by
the GI of lunch 90 min after lunch, neither after intention-to-treat nor in the
per-protocol analysis. Adjustment for GL also did not change results.\r\n
\ \r\n Conclusion\r\n
\ The present study revealed no notable differences after
the consumption of two rice types with medium vs. high dietary GI for lunch in
children’s cognitive function in the late postprandial phase, 90 min after lunch.\r\n
\ \r\n Clinical trial
registration\r\n German Clinical Trials Register
(DRKS00013597); date of registration: 16/04/2018, retrospectively registered.\r\n
\ "
author:
- first_name: Alina
full_name: Drozdowska, Alina
last_name: Drozdowska
- first_name: Kathrin
full_name: Sinningen, Kathrin
last_name: Sinningen
- first_name: Michael
full_name: Falkenstein, Michael
last_name: Falkenstein
- first_name: Henrik
full_name: Rudolf, Henrik
last_name: Rudolf
- first_name: Lars
full_name: Libuda, Lars
id: '88682'
last_name: Libuda
orcid: 0000-0003-1603-3133
- first_name: Anette
full_name: Buyken, Anette
id: '65985'
last_name: Buyken
- first_name: Thomas
full_name: Lücke, Thomas
last_name: Lücke
- first_name: Mathilde
full_name: Kersting, Mathilde
last_name: Kersting
citation:
ama: 'Drozdowska A, Sinningen K, Falkenstein M, et al. Impact of lunch with carbohydrates
differing in glycemic index on children’s cognitive functioning in the late postprandial
phase: a randomized crossover study. European Journal of Nutrition. 2021;61(3):1637-1647.
doi:10.1007/s00394-021-02766-y'
apa: 'Drozdowska, A., Sinningen, K., Falkenstein, M., Rudolf, H., Libuda, L., Buyken,
A., Lücke, T., & Kersting, M. (2021). Impact of lunch with carbohydrates differing
in glycemic index on children’s cognitive functioning in the late postprandial
phase: a randomized crossover study. European Journal of Nutrition, 61(3),
1637–1647. https://doi.org/10.1007/s00394-021-02766-y'
bibtex: '@article{Drozdowska_Sinningen_Falkenstein_Rudolf_Libuda_Buyken_Lücke_Kersting_2021,
title={Impact of lunch with carbohydrates differing in glycemic index on children’s
cognitive functioning in the late postprandial phase: a randomized crossover study},
volume={61}, DOI={10.1007/s00394-021-02766-y},
number={3}, journal={European Journal of Nutrition}, publisher={Springer Science
and Business Media LLC}, author={Drozdowska, Alina and Sinningen, Kathrin and
Falkenstein, Michael and Rudolf, Henrik and Libuda, Lars and Buyken, Anette and
Lücke, Thomas and Kersting, Mathilde}, year={2021}, pages={1637–1647} }'
chicago: 'Drozdowska, Alina, Kathrin Sinningen, Michael Falkenstein, Henrik Rudolf,
Lars Libuda, Anette Buyken, Thomas Lücke, and Mathilde Kersting. “Impact of Lunch
with Carbohydrates Differing in Glycemic Index on Children’s Cognitive Functioning
in the Late Postprandial Phase: A Randomized Crossover Study.” European Journal
of Nutrition 61, no. 3 (2021): 1637–47. https://doi.org/10.1007/s00394-021-02766-y.'
ieee: 'A. Drozdowska et al., “Impact of lunch with carbohydrates differing
in glycemic index on children’s cognitive functioning in the late postprandial
phase: a randomized crossover study,” European Journal of Nutrition, vol.
61, no. 3, pp. 1637–1647, 2021, doi: 10.1007/s00394-021-02766-y.'
mla: 'Drozdowska, Alina, et al. “Impact of Lunch with Carbohydrates Differing in
Glycemic Index on Children’s Cognitive Functioning in the Late Postprandial Phase:
A Randomized Crossover Study.” European Journal of Nutrition, vol. 61,
no. 3, Springer Science and Business Media LLC, 2021, pp. 1637–47, doi:10.1007/s00394-021-02766-y.'
short: A. Drozdowska, K. Sinningen, M. Falkenstein, H. Rudolf, L. Libuda, A. Buyken,
T. Lücke, M. Kersting, European Journal of Nutrition 61 (2021) 1637–1647.
date_created: 2023-01-05T14:49:10Z
date_updated: 2023-01-05T16:47:16Z
department:
- _id: '35'
- _id: '17'
- _id: '22'
- _id: '571'
- _id: '395'
doi: 10.1007/s00394-021-02766-y
intvolume: ' 61'
issue: '3'
keyword:
- Nutrition and Dietetics
- Medicine (miscellaneous)
language:
- iso: eng
page: 1637-1647
publication: European Journal of Nutrition
publication_identifier:
issn:
- 1436-6207
- 1436-6215
publication_status: published
publisher: Springer Science and Business Media LLC
status: public
title: 'Impact of lunch with carbohydrates differing in glycemic index on children''s
cognitive functioning in the late postprandial phase: a randomized crossover study'
type: journal_article
user_id: '61597'
volume: 61
year: '2021'
...
---
_id: '35327'
article_number: '121536'
article_type: original
author:
- first_name: Martin
full_name: Wortmann, Martin
last_name: Wortmann
- first_name: Klaus
full_name: Viertel, Klaus
last_name: Viertel
- first_name: Alexander
full_name: Welle, Alexander
last_name: Welle
- first_name: Waldemar
full_name: Keil, Waldemar
last_name: Keil
- first_name: Natalie
full_name: Frese, Natalie
last_name: Frese
- first_name: Wiebke
full_name: Hachmann, Wiebke
last_name: Hachmann
- first_name: Philipp
full_name: Krieger, Philipp
last_name: Krieger
- first_name: Johannes
full_name: Brikmann, Johannes
last_name: Brikmann
- first_name: Claudia
full_name: Schmidt, Claudia
id: '466'
last_name: Schmidt
orcid: 0000-0003-3179-9997
- first_name: Elmar
full_name: Moritzer, Elmar
id: '20531'
last_name: Moritzer
- first_name: Bruno
full_name: Hüsgen, Bruno
last_name: Hüsgen
citation:
ama: Wortmann M, Viertel K, Welle A, et al. Anomalous bulk diffusion of methylene
diphenyl diisocyanate in silicone elastomer. International Journal of Heat
and Mass Transfer. 2021;177. doi:10.1016/j.ijheatmasstransfer.2021.121536
apa: Wortmann, M., Viertel, K., Welle, A., Keil, W., Frese, N., Hachmann, W., Krieger,
P., Brikmann, J., Schmidt, C., Moritzer, E., & Hüsgen, B. (2021). Anomalous
bulk diffusion of methylene diphenyl diisocyanate in silicone elastomer. International
Journal of Heat and Mass Transfer, 177, Article 121536. https://doi.org/10.1016/j.ijheatmasstransfer.2021.121536
bibtex: '@article{Wortmann_Viertel_Welle_Keil_Frese_Hachmann_Krieger_Brikmann_Schmidt_Moritzer_et
al._2021, title={Anomalous bulk diffusion of methylene diphenyl diisocyanate in
silicone elastomer}, volume={177}, DOI={10.1016/j.ijheatmasstransfer.2021.121536},
number={121536}, journal={International Journal of Heat and Mass Transfer}, publisher={Elsevier
BV}, author={Wortmann, Martin and Viertel, Klaus and Welle, Alexander and Keil,
Waldemar and Frese, Natalie and Hachmann, Wiebke and Krieger, Philipp and Brikmann,
Johannes and Schmidt, Claudia and Moritzer, Elmar and et al.}, year={2021} }'
chicago: Wortmann, Martin, Klaus Viertel, Alexander Welle, Waldemar Keil, Natalie
Frese, Wiebke Hachmann, Philipp Krieger, et al. “Anomalous Bulk Diffusion of Methylene
Diphenyl Diisocyanate in Silicone Elastomer.” International Journal of Heat
and Mass Transfer 177 (2021). https://doi.org/10.1016/j.ijheatmasstransfer.2021.121536.
ieee: 'M. Wortmann et al., “Anomalous bulk diffusion of methylene diphenyl
diisocyanate in silicone elastomer,” International Journal of Heat and Mass
Transfer, vol. 177, Art. no. 121536, 2021, doi: 10.1016/j.ijheatmasstransfer.2021.121536.'
mla: Wortmann, Martin, et al. “Anomalous Bulk Diffusion of Methylene Diphenyl Diisocyanate
in Silicone Elastomer.” International Journal of Heat and Mass Transfer,
vol. 177, 121536, Elsevier BV, 2021, doi:10.1016/j.ijheatmasstransfer.2021.121536.
short: M. Wortmann, K. Viertel, A. Welle, W. Keil, N. Frese, W. Hachmann, P. Krieger,
J. Brikmann, C. Schmidt, E. Moritzer, B. Hüsgen, International Journal of Heat
and Mass Transfer 177 (2021).
date_created: 2023-01-06T12:20:46Z
date_updated: 2023-01-07T10:25:55Z
department:
- _id: '2'
- _id: '9'
- _id: '315'
doi: 10.1016/j.ijheatmasstransfer.2021.121536
intvolume: ' 177'
keyword:
- Fluid Flow and Transfer Processes
- Mechanical Engineering
- Condensed Matter Physics
language:
- iso: eng
publication: International Journal of Heat and Mass Transfer
publication_identifier:
issn:
- 0017-9310
publication_status: published
publisher: Elsevier BV
quality_controlled: '1'
status: public
title: Anomalous bulk diffusion of methylene diphenyl diisocyanate in silicone elastomer
type: journal_article
user_id: '466'
volume: 177
year: '2021'
...