---
_id: '21239'
abstract:
- lang: eng
text: The electrochemical nitrogen reduction reaction (NRR) to ammonia (NH3) is
a promising alternative route for an NH3 synthesis at ambient conditions to the
conventional high temperature and pressure Haber--Bosch process without the need
for hydrogen gas. Single metal ions or atoms are attractive candidates for the
catalytic activation of non-reactive nitrogen (N2), and for future targeted improvement
of NRR catalysts, it is of utmost importance to get detailed insights into structure-performance
relationships and mechanisms of N2 activation in such structures. Here, we report
density functional theory studies on the NRR catalyzed by single Au and Fe atoms
supported in graphitic C2N materials. Our results show that the metal atoms present
in the structure of C2N are the reactive sites, which catalyze the aforesaid reaction
by strong adsorption and activation of N2. We further demonstrate that a lower
onset electrode potential is required for Fe--C2N than for Au--C2N. Thus, Fe--C2N
is theoretically predicted to be a potentially better NRR catalyst at ambient
conditions than Au--C2N owing to the larger adsorption energy of N2 molecules.
Furthermore, we have experimentally shown that single sites of Au and Fe supported
on nitrogen-doped porous carbon are indeed active NRR catalysts. However, in contrast
to our theoretical results, the Au-based catalyst performed slightly better with
a Faradaic efficiency (FE) of 10.1{\%} than the Fe-based catalyst with an FE of
8.4{\%} at −0.2 V vs. RHE. The DFT calculations suggest that this difference is
due to the competitive hydrogen evolution reaction and higher desorption energy
of ammonia.
author:
- first_name: Sudhir K.
full_name: Sahoo, Sudhir K.
last_name: Sahoo
- first_name: Julian Joachim
full_name: Heske, Julian Joachim
id: '53238'
last_name: Heske
- first_name: Markus
full_name: Antonietti, Markus
last_name: Antonietti
- first_name: Qing
full_name: Qin, Qing
last_name: Qin
- first_name: Martin
full_name: Oschatz, Martin
last_name: Oschatz
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
citation:
ama: Sahoo SK, Heske JJ, Antonietti M, Qin Q, Oschatz M, Kühne T. Electrochemical
N2 Reduction to Ammonia Using Single Au/Fe Atoms Supported on Nitrogen-Doped Porous
Carbon. ACS Applied Energy Materials. 2020;3(10):10061-10069. doi:10.1021/acsaem.0c01740
apa: Sahoo, S. K., Heske, J. J., Antonietti, M., Qin, Q., Oschatz, M., & Kühne,
T. (2020). Electrochemical N2 Reduction to Ammonia Using Single Au/Fe Atoms Supported
on Nitrogen-Doped Porous Carbon. ACS Applied Energy Materials, 3(10),
10061–10069. https://doi.org/10.1021/acsaem.0c01740
bibtex: '@article{Sahoo_Heske_Antonietti_Qin_Oschatz_Kühne_2020, title={Electrochemical
N2 Reduction to Ammonia Using Single Au/Fe Atoms Supported on Nitrogen-Doped Porous
Carbon}, volume={3}, DOI={10.1021/acsaem.0c01740},
number={10}, journal={ACS Applied Energy Materials}, publisher={American Chemical
Society}, author={Sahoo, Sudhir K. and Heske, Julian Joachim and Antonietti, Markus
and Qin, Qing and Oschatz, Martin and Kühne, Thomas}, year={2020}, pages={10061–10069}
}'
chicago: 'Sahoo, Sudhir K., Julian Joachim Heske, Markus Antonietti, Qing Qin, Martin
Oschatz, and Thomas Kühne. “Electrochemical N2 Reduction to Ammonia Using Single
Au/Fe Atoms Supported on Nitrogen-Doped Porous Carbon.” ACS Applied Energy
Materials 3, no. 10 (2020): 10061–69. https://doi.org/10.1021/acsaem.0c01740.'
ieee: S. K. Sahoo, J. J. Heske, M. Antonietti, Q. Qin, M. Oschatz, and T. Kühne,
“Electrochemical N2 Reduction to Ammonia Using Single Au/Fe Atoms Supported on
Nitrogen-Doped Porous Carbon,” ACS Applied Energy Materials, vol. 3, no.
10, pp. 10061–10069, 2020.
mla: Sahoo, Sudhir K., et al. “Electrochemical N2 Reduction to Ammonia Using Single
Au/Fe Atoms Supported on Nitrogen-Doped Porous Carbon.” ACS Applied Energy
Materials, vol. 3, no. 10, American Chemical Society, 2020, pp. 10061–69,
doi:10.1021/acsaem.0c01740.
short: S.K. Sahoo, J.J. Heske, M. Antonietti, Q. Qin, M. Oschatz, T. Kühne, ACS
Applied Energy Materials 3 (2020) 10061–10069.
date_created: 2021-02-16T10:49:02Z
date_updated: 2022-01-06T06:54:50Z
department:
- _id: '304'
doi: 10.1021/acsaem.0c01740
intvolume: ' 3'
issue: '10'
language:
- iso: eng
page: 10061-10069
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: ACS Applied Energy Materials
publisher: American Chemical Society
status: public
title: Electrochemical N2 Reduction to Ammonia Using Single Au/Fe Atoms Supported
on Nitrogen-Doped Porous Carbon
type: journal_article
user_id: '71692'
volume: 3
year: '2020'
...
---
_id: '17375'
author:
- first_name: Jiaqi
full_name: Zhou, Jiaqi
last_name: Zhou
- first_name: Mohammad
full_name: Khazaei, Mohammad
last_name: Khazaei
- first_name: Ahmad
full_name: Ranjbar, Ahmad
last_name: Ranjbar
- first_name: Vei
full_name: Wang, Vei
last_name: Wang
- first_name: Thomas D.
full_name: Kühne, Thomas D.
last_name: Kühne
- first_name: Kaoru
full_name: Ohno, Kaoru
last_name: Ohno
- first_name: Yoshiyuki
full_name: Kawazoe, Yoshiyuki
last_name: Kawazoe
- first_name: Yunye
full_name: Liang, Yunye
last_name: Liang
citation:
ama: 'Zhou J, Khazaei M, Ranjbar A, et al. Modulation of nearly free electron states
in hydroxyl-functionalized MXenes: a first-principles study. J Mater Chem C.
2020;8:5211-5221. doi:10.1039/C9TC06837F'
apa: 'Zhou, J., Khazaei, M., Ranjbar, A., Wang, V., Kühne, T. D., Ohno, K., … Liang,
Y. (2020). Modulation of nearly free electron states in hydroxyl-functionalized
MXenes: a first-principles study. J. Mater. Chem. C, 8, 5211–5221.
https://doi.org/10.1039/C9TC06837F'
bibtex: '@article{Zhou_Khazaei_Ranjbar_Wang_Kühne_Ohno_Kawazoe_Liang_2020, title={Modulation
of nearly free electron states in hydroxyl-functionalized MXenes: a first-principles
study}, volume={8}, DOI={10.1039/C9TC06837F},
journal={J. Mater. Chem. C}, publisher={The Royal Society of Chemistry}, author={Zhou,
Jiaqi and Khazaei, Mohammad and Ranjbar, Ahmad and Wang, Vei and Kühne, Thomas
D. and Ohno, Kaoru and Kawazoe, Yoshiyuki and Liang, Yunye}, year={2020}, pages={5211–5221}
}'
chicago: 'Zhou, Jiaqi, Mohammad Khazaei, Ahmad Ranjbar, Vei Wang, Thomas D. Kühne,
Kaoru Ohno, Yoshiyuki Kawazoe, and Yunye Liang. “Modulation of Nearly Free Electron
States in Hydroxyl-Functionalized MXenes: A First-Principles Study.” J. Mater.
Chem. C 8 (2020): 5211–21. https://doi.org/10.1039/C9TC06837F.'
ieee: 'J. Zhou et al., “Modulation of nearly free electron states in hydroxyl-functionalized
MXenes: a first-principles study,” J. Mater. Chem. C, vol. 8, pp. 5211–5221,
2020.'
mla: 'Zhou, Jiaqi, et al. “Modulation of Nearly Free Electron States in Hydroxyl-Functionalized
MXenes: A First-Principles Study.” J. Mater. Chem. C, vol. 8, The Royal
Society of Chemistry, 2020, pp. 5211–21, doi:10.1039/C9TC06837F.'
short: J. Zhou, M. Khazaei, A. Ranjbar, V. Wang, T.D. Kühne, K. Ohno, Y. Kawazoe,
Y. Liang, J. Mater. Chem. C 8 (2020) 5211–5221.
date_created: 2020-07-14T09:12:35Z
date_updated: 2022-01-06T06:53:10Z
department:
- _id: '304'
doi: 10.1039/C9TC06837F
intvolume: ' 8'
language:
- iso: eng
page: 5211-5221
publication: J. Mater. Chem. C
publisher: The Royal Society of Chemistry
status: public
title: 'Modulation of nearly free electron states in hydroxyl-functionalized MXenes:
a first-principles study'
type: journal_article
user_id: '71692'
volume: 8
year: '2020'
...
---
_id: '17379'
author:
- first_name: 'Sudhir '
full_name: 'Kumar Sahoo, Sudhir '
last_name: Kumar Sahoo
- first_name: Julian Joachim
full_name: Heske, Julian Joachim
id: '53238'
last_name: Heske
- first_name: Sam
full_name: Azadi, Sam
last_name: Azadi
- first_name: 'Zhenzhe '
full_name: 'Zhang, Zhenzhe '
last_name: Zhang
- first_name: ' Nadezda '
full_name: 'V Tarakina, Nadezda '
last_name: V Tarakina
- first_name: 'Martin '
full_name: 'Oschatz, Martin '
last_name: Oschatz
- first_name: 'Rustam '
full_name: 'Z. Khaliullin, Rustam '
last_name: Z. Khaliullin
- first_name: ' Markus '
full_name: 'Antonietti, Markus '
last_name: Antonietti
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
citation:
ama: Kumar Sahoo S, Heske JJ, Azadi S, et al. On the Possibility of Helium Adsorption
in Nitrogen Doped Graphitic Materials. Scientific Reports. 2020;10(1).
doi:10.1038/s41598-020-62638-z
apa: Kumar Sahoo, S., Heske, J. J., Azadi, S., Zhang, Z., V Tarakina, Nadezda
, Oschatz, M., … Kühne, T. (2020). On the Possibility of Helium Adsorption in
Nitrogen Doped Graphitic Materials. Scientific Reports, 10(1). https://doi.org/10.1038/s41598-020-62638-z
bibtex: '@article{Kumar Sahoo_Heske_Azadi_Zhang_V Tarakina_Oschatz_Z. Khaliullin_Antonietti_Kühne_2020,
title={On the Possibility of Helium Adsorption in Nitrogen Doped Graphitic Materials},
volume={10}, DOI={10.1038/s41598-020-62638-z},
number={1}, journal={Scientific Reports}, author={Kumar Sahoo, Sudhir and Heske,
Julian Joachim and Azadi, Sam and Zhang, Zhenzhe and V Tarakina, Nadezda and
Oschatz, Martin and Z. Khaliullin, Rustam and Antonietti, Markus and Kühne,
Thomas}, year={2020} }'
chicago: Kumar Sahoo, Sudhir , Julian Joachim Heske, Sam Azadi, Zhenzhe Zhang, Nadezda V
Tarakina, Martin Oschatz, Rustam Z. Khaliullin, Markus Antonietti, and Thomas
Kühne. “On the Possibility of Helium Adsorption in Nitrogen Doped Graphitic Materials.”
Scientific Reports 10, no. 1 (2020). https://doi.org/10.1038/s41598-020-62638-z.
ieee: S. Kumar Sahoo et al., “On the Possibility of Helium Adsorption in
Nitrogen Doped Graphitic Materials,” Scientific Reports, vol. 10, no. 1,
2020.
mla: Kumar Sahoo, Sudhir, et al. “On the Possibility of Helium Adsorption in Nitrogen
Doped Graphitic Materials.” Scientific Reports, vol. 10, no. 1, 2020, doi:10.1038/s41598-020-62638-z.
short: S. Kumar Sahoo, J.J. Heske, S. Azadi, Z. Zhang, Nadezda V Tarakina, M.
Oschatz, R. Z. Khaliullin, Markus Antonietti, T. Kühne, Scientific Reports 10
(2020).
date_created: 2020-07-14T09:31:03Z
date_updated: 2022-01-06T06:53:10Z
department:
- _id: '304'
doi: 10.1038/s41598-020-62638-z
intvolume: ' 10'
issue: '1'
language:
- iso: eng
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Scientific Reports
publication_status: published
status: public
title: On the Possibility of Helium Adsorption in Nitrogen Doped Graphitic Materials
type: journal_article
user_id: '71692'
volume: 10
year: '2020'
...
---
_id: '17381'
author:
- first_name: Hossam
full_name: Elgabarty, Hossam
last_name: Elgabarty
- first_name: Tobias
full_name: Kampfrath, Tobias
last_name: Kampfrath
- first_name: Douwe Jan
full_name: Bonthuis, Douwe Jan
last_name: Bonthuis
- first_name: Vasileios
full_name: Balos, Vasileios
last_name: Balos
- first_name: Naveen Kumar
full_name: Kaliannan, Naveen Kumar
last_name: Kaliannan
- first_name: Philip
full_name: Loche, Philip
last_name: Loche
- first_name: Roland R.
full_name: Netz, Roland R.
last_name: Netz
- first_name: Martin
full_name: Wolf, Martin
last_name: Wolf
- first_name: Thomas D.
full_name: K{\, Thomas D.
last_name: K{\
- first_name: Mohsen
full_name: Sajadi, Mohsen
last_name: Sajadi
citation:
ama: Elgabarty H, Kampfrath T, Bonthuis DJ, et al. Energy transfer within the hydrogen
bonding network of water following resonant terahertz excitation. Science Advances.
2020;6(17). doi:10.1126/sciadv.aay7074
apa: Elgabarty, H., Kampfrath, T., Bonthuis, D. J., Balos, V., Kaliannan, N. K.,
Loche, P., … Sajadi, M. (2020). Energy transfer within the hydrogen bonding network
of water following resonant terahertz excitation. Science Advances, 6(17).
https://doi.org/10.1126/sciadv.aay7074
bibtex: '@article{Elgabarty_Kampfrath_Bonthuis_Balos_Kaliannan_Loche_Netz_Wolf_K{\_Sajadi_2020,
title={Energy transfer within the hydrogen bonding network of water following
resonant terahertz excitation}, volume={6}, DOI={10.1126/sciadv.aay7074},
number={17}, journal={Science Advances}, publisher={American Association for the
Advancement of Science}, author={Elgabarty, Hossam and Kampfrath, Tobias and Bonthuis,
Douwe Jan and Balos, Vasileios and Kaliannan, Naveen Kumar and Loche, Philip and
Netz, Roland R. and Wolf, Martin and K{\, Thomas D. and Sajadi, Mohsen}, year={2020}
}'
chicago: Elgabarty, Hossam, Tobias Kampfrath, Douwe Jan Bonthuis, Vasileios Balos,
Naveen Kumar Kaliannan, Philip Loche, Roland R. Netz, Martin Wolf, Thomas D. K{\,
and Mohsen Sajadi. “Energy Transfer within the Hydrogen Bonding Network of Water
Following Resonant Terahertz Excitation.” Science Advances 6, no. 17 (2020).
https://doi.org/10.1126/sciadv.aay7074.
ieee: H. Elgabarty et al., “Energy transfer within the hydrogen bonding network
of water following resonant terahertz excitation,” Science Advances, vol.
6, no. 17, 2020.
mla: Elgabarty, Hossam, et al. “Energy Transfer within the Hydrogen Bonding Network
of Water Following Resonant Terahertz Excitation.” Science Advances, vol.
6, no. 17, American Association for the Advancement of Science, 2020, doi:10.1126/sciadv.aay7074.
short: H. Elgabarty, T. Kampfrath, D.J. Bonthuis, V. Balos, N.K. Kaliannan, P. Loche,
R.R. Netz, M. Wolf, T.D. K{\, M. Sajadi, Science Advances 6 (2020).
date_created: 2020-07-14T09:32:33Z
date_updated: 2022-01-06T06:53:10Z
department:
- _id: '304'
doi: 10.1126/sciadv.aay7074
intvolume: ' 6'
issue: '17'
language:
- iso: eng
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Science Advances
publisher: American Association for the Advancement of Science
status: public
title: Energy transfer within the hydrogen bonding network of water following resonant
terahertz excitation
type: journal_article
user_id: '71692'
volume: 6
year: '2020'
...
---
_id: '17386'
author:
- first_name: Thomas D.
full_name: Kühne, Thomas D.
last_name: Kühne
- first_name: Marcella
full_name: Iannuzzi, Marcella
last_name: Iannuzzi
- first_name: Mauro
full_name: Del Ben, Mauro
last_name: Del Ben
- first_name: Vladimir V.
full_name: Rybkin, Vladimir V.
last_name: Rybkin
- first_name: Patrick
full_name: Seewald, Patrick
last_name: Seewald
- first_name: Frederick
full_name: Stein, Frederick
last_name: Stein
- first_name: Teodoro
full_name: Laino, Teodoro
last_name: Laino
- first_name: Rustam Z.
full_name: Khaliullin, Rustam Z.
last_name: Khaliullin
- first_name: Ole
full_name: Schütt, Ole
last_name: Schütt
- first_name: Florian
full_name: Schiffmann, Florian
last_name: Schiffmann
- first_name: et
full_name: al., et
last_name: al.
citation:
ama: 'Kühne TD, Iannuzzi M, Del Ben M, et al. CP2K: An electronic structure and
molecular dynamics software package - Quickstep: Efficient and accurate electronic
structure calculations. The Journal of Chemical Physics. 2020;152(19):194103.
doi:10.1063/5.0007045'
apa: 'Kühne, T. D., Iannuzzi, M., Del Ben, M., Rybkin, V. V., Seewald, P., Stein,
F., … al., et. (2020). CP2K: An electronic structure and molecular dynamics software
package - Quickstep: Efficient and accurate electronic structure calculations.
The Journal of Chemical Physics, 152(19), 194103. https://doi.org/10.1063/5.0007045'
bibtex: '@article{Kühne_Iannuzzi_Del Ben_Rybkin_Seewald_Stein_Laino_Khaliullin_Schütt_Schiffmann_et
al._2020, title={CP2K: An electronic structure and molecular dynamics software
package - Quickstep: Efficient and accurate electronic structure calculations},
volume={152}, DOI={10.1063/5.0007045},
number={19}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing},
author={Kühne, Thomas D. and Iannuzzi, Marcella and Del Ben, Mauro and Rybkin,
Vladimir V. and Seewald, Patrick and Stein, Frederick and Laino, Teodoro and Khaliullin,
Rustam Z. and Schütt, Ole and Schiffmann, Florian and et al.}, year={2020}, pages={194103}
}'
chicago: 'Kühne, Thomas D., Marcella Iannuzzi, Mauro Del Ben, Vladimir V. Rybkin,
Patrick Seewald, Frederick Stein, Teodoro Laino, et al. “CP2K: An Electronic Structure
and Molecular Dynamics Software Package - Quickstep: Efficient and Accurate Electronic
Structure Calculations.” The Journal of Chemical Physics 152, no. 19 (2020):
194103. https://doi.org/10.1063/5.0007045.'
ieee: 'T. D. Kühne et al., “CP2K: An electronic structure and molecular dynamics
software package - Quickstep: Efficient and accurate electronic structure calculations,”
The Journal of Chemical Physics, vol. 152, no. 19, p. 194103, 2020.'
mla: 'Kühne, Thomas D., et al. “CP2K: An Electronic Structure and Molecular Dynamics
Software Package - Quickstep: Efficient and Accurate Electronic Structure Calculations.”
The Journal of Chemical Physics, vol. 152, no. 19, AIP Publishing, 2020,
p. 194103, doi:10.1063/5.0007045.'
short: T.D. Kühne, M. Iannuzzi, M. Del Ben, V.V. Rybkin, P. Seewald, F. Stein, T.
Laino, R.Z. Khaliullin, O. Schütt, F. Schiffmann, et al., The Journal of Chemical
Physics 152 (2020) 194103.
date_created: 2020-07-14T09:41:47Z
date_updated: 2022-01-06T06:53:10Z
department:
- _id: '304'
doi: 10.1063/5.0007045
intvolume: ' 152'
issue: '19'
language:
- iso: eng
page: '194103'
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: The Journal of Chemical Physics
publication_identifier:
issn:
- 1089-7690
publisher: AIP Publishing
status: public
title: 'CP2K: An electronic structure and molecular dynamics software package - Quickstep:
Efficient and accurate electronic structure calculations'
type: journal_article
user_id: '71692'
volume: 152
year: '2020'
...
---
_id: '19844'
abstract:
- lang: eng
text: The defect-electronic properties of {112} microfaceted surfaces of epitaxially
grown CuInSe2 thin films are investigated by scanning tunneling spectroscopy and
photoelectron spectroscopy techniques after various surface treatments. The intrinsic
CuInSe2 surface is found to be largely passivated in terms of electronic defect
levels in the band-gap region. However, surface oxidation leads to an overall
high density of defect levels in conjunction with a considerable net surface dipole,
which persists even after oxide removal. Yet, a subsequent annealing under vacuum
restores the initial condition. Such oxidation/reduction cycles are reversible
for many times providing robust control of the surface and interface properties
in these materials. Based on ab initio simulations, a mechanism where oxygen dissociatively
adsorbs and subsequently diffuses to a subsurface site is proposed as the initial
step of the observed dipole formation. Our results emphasize the relevance of
oxidation-induced dipole effects at the thin film surface and provide a comprehensive
understanding toward passivation strategies of these surfaces.
author:
- first_name: Amala
full_name: Elizabeth, Amala
last_name: Elizabeth
- first_name: Sudhir K.
full_name: Sahoo, Sudhir K.
last_name: Sahoo
- first_name: David
full_name: Lockhorn, David
last_name: Lockhorn
- first_name: Alexander
full_name: Timmer, Alexander
last_name: Timmer
- first_name: Nabi
full_name: Aghdassi, Nabi
last_name: Aghdassi
- first_name: Helmut
full_name: Zacharias, Helmut
last_name: Zacharias
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
- first_name: Susanne
full_name: Siebentritt, Susanne
last_name: Siebentritt
- first_name: Hossein
full_name: Mirhosseini, Hossein
id: '71051'
last_name: Mirhosseini
orcid: https://orcid.org/0000-0001-6179-1545
- first_name: Harry
full_name: Mönig, Harry
last_name: Mönig
citation:
ama: Elizabeth A, Sahoo SK, Lockhorn D, et al. Oxidation/reduction cycles and their
reversible effect on the dipole formation at CuInSe2 surfaces. Phys Rev Materials.
2020;4:063401. doi:10.1103/PhysRevMaterials.4.063401
apa: Elizabeth, A., Sahoo, S. K., Lockhorn, D., Timmer, A., Aghdassi, N., Zacharias,
H., Kühne, T., Siebentritt, S., Mirhosseini, H., & Mönig, H. (2020). Oxidation/reduction
cycles and their reversible effect on the dipole formation at CuInSe2 surfaces.
Phys. Rev. Materials, 4, 063401. https://doi.org/10.1103/PhysRevMaterials.4.063401
bibtex: '@article{Elizabeth_Sahoo_Lockhorn_Timmer_Aghdassi_Zacharias_Kühne_Siebentritt_Mirhosseini_Mönig_2020,
title={ Oxidation/reduction cycles and their reversible effect on the dipole formation
at CuInSe2 surfaces}, volume={4}, DOI={10.1103/PhysRevMaterials.4.063401},
journal={Phys. Rev. Materials}, publisher={American Physical Society}, author={Elizabeth,
Amala and Sahoo, Sudhir K. and Lockhorn, David and Timmer, Alexander and Aghdassi,
Nabi and Zacharias, Helmut and Kühne, Thomas and Siebentritt, Susanne and Mirhosseini,
Hossein and Mönig, Harry}, year={2020}, pages={063401} }'
chicago: 'Elizabeth, Amala, Sudhir K. Sahoo, David Lockhorn, Alexander Timmer, Nabi
Aghdassi, Helmut Zacharias, Thomas Kühne, Susanne Siebentritt, Hossein Mirhosseini,
and Harry Mönig. “ Oxidation/Reduction Cycles and Their Reversible Effect on the
Dipole Formation at CuInSe2 Surfaces.” Phys. Rev. Materials 4 (2020): 063401.
https://doi.org/10.1103/PhysRevMaterials.4.063401.'
ieee: 'A. Elizabeth et al., “ Oxidation/reduction cycles and their reversible
effect on the dipole formation at CuInSe2 surfaces,” Phys. Rev. Materials,
vol. 4, p. 063401, 2020, doi: 10.1103/PhysRevMaterials.4.063401.'
mla: Elizabeth, Amala, et al. “ Oxidation/Reduction Cycles and Their Reversible
Effect on the Dipole Formation at CuInSe2 Surfaces.” Phys. Rev. Materials,
vol. 4, American Physical Society, 2020, p. 063401, doi:10.1103/PhysRevMaterials.4.063401.
short: A. Elizabeth, S.K. Sahoo, D. Lockhorn, A. Timmer, N. Aghdassi, H. Zacharias,
T. Kühne, S. Siebentritt, H. Mirhosseini, H. Mönig, Phys. Rev. Materials 4 (2020)
063401.
date_created: 2020-10-02T09:16:41Z
date_updated: 2022-07-21T09:32:16Z
department:
- _id: '304'
doi: 10.1103/PhysRevMaterials.4.063401
intvolume: ' 4'
language:
- iso: eng
page: '063401'
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Phys. Rev. Materials
publisher: American Physical Society
status: public
title: ' Oxidation/reduction cycles and their reversible effect on the dipole formation
at CuInSe2 surfaces'
type: journal_article
user_id: '71051'
volume: 4
year: '2020'
...
---
_id: '21112'
abstract:
- lang: eng
text: Photovoltaics is one of the most promising and fastest-growing renewable energy
technologies. Although the price-performance ratio of solar cells has improved
significantly over recent years{,} further systematic investigations are needed
to achieve higher performance and lower cost for future solar cells. In conjunction
with experiments{,} computer simulations are powerful tools to investigate the
thermodynamics and kinetics of solar cells. Over the last few years{,} we have
developed and employed advanced computational techniques to gain a better understanding
of solar cells based on copper indium gallium selenide (Cu(In{,}Ga)Se2). Furthermore{,}
we have utilized state-of-the-art data-driven science and machine learning for
the development of photovoltaic materials. In this Perspective{,} we review our
results along with a survey of the field.
author:
- first_name: S. Hossein
full_name: Mirhosseini, S. Hossein
id: '71051'
last_name: Mirhosseini
orcid: 0000-0001-6179-1545
- 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: Sudhir K.
full_name: Sahoo, Sudhir K.
last_name: Sahoo
- first_name: Hendrik
full_name: Wiebeler, Hendrik
last_name: Wiebeler
- first_name: Manjusha
full_name: Chugh, Manjusha
id: '71511'
last_name: Chugh
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
citation:
ama: Mirhosseini SH, Kormath Madam Raghupathy R, Sahoo SK, Wiebeler H, Chugh M,
Kühne T. In silico investigation of Cu(In,Ga)Se2-based solar cells. Phys Chem
Chem Phys. 2020;22:26682-26701. doi:10.1039/D0CP04712K
apa: Mirhosseini, S. H., Kormath Madam Raghupathy, R., Sahoo, S. K., Wiebeler, H.,
Chugh, M., & Kühne, T. (2020). In silico investigation of Cu(In,Ga)Se2-based
solar cells. Phys. Chem. Chem. Phys., 22, 26682–26701. https://doi.org/10.1039/D0CP04712K
bibtex: '@article{Mirhosseini_Kormath Madam Raghupathy_Sahoo_Wiebeler_Chugh_Kühne_2020,
title={In silico investigation of Cu(In,Ga)Se2-based solar cells}, volume={22},
DOI={10.1039/D0CP04712K}, journal={Phys.
Chem. Chem. Phys.}, publisher={The Royal Society of Chemistry}, author={Mirhosseini,
S. Hossein and Kormath Madam Raghupathy, Ramya and Sahoo, Sudhir K. and Wiebeler,
Hendrik and Chugh, Manjusha and Kühne, Thomas}, year={2020}, pages={26682–26701}
}'
chicago: 'Mirhosseini, S. Hossein, Ramya Kormath Madam Raghupathy, Sudhir K. Sahoo,
Hendrik Wiebeler, Manjusha Chugh, and Thomas Kühne. “In Silico Investigation of
Cu(In,Ga)Se2-Based Solar Cells.” Phys. Chem. Chem. Phys. 22 (2020): 26682–701.
https://doi.org/10.1039/D0CP04712K.'
ieee: 'S. H. Mirhosseini, R. Kormath Madam Raghupathy, S. K. Sahoo, H. Wiebeler,
M. Chugh, and T. Kühne, “In silico investigation of Cu(In,Ga)Se2-based solar cells,”
Phys. Chem. Chem. Phys., vol. 22, pp. 26682–26701, 2020, doi: 10.1039/D0CP04712K.'
mla: Mirhosseini, S. Hossein, et al. “In Silico Investigation of Cu(In,Ga)Se2-Based
Solar Cells.” Phys. Chem. Chem. Phys., vol. 22, The Royal Society of Chemistry,
2020, pp. 26682–701, doi:10.1039/D0CP04712K.
short: S.H. Mirhosseini, R. Kormath Madam Raghupathy, S.K. Sahoo, H. Wiebeler, M.
Chugh, T. Kühne, Phys. Chem. Chem. Phys. 22 (2020) 26682–26701.
date_created: 2021-01-29T15:21:45Z
date_updated: 2022-07-21T09:34:02Z
department:
- _id: '304'
doi: 10.1039/D0CP04712K
intvolume: ' 22'
language:
- iso: eng
page: 26682-26701
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Phys. Chem. Chem. Phys.
publisher: The Royal Society of Chemistry
status: public
title: In silico investigation of Cu(In,Ga)Se2-based solar cells
type: journal_article
user_id: '71051'
volume: 22
year: '2020'
...
---
_id: '21240'
abstract:
- lang: eng
text: Rechargeable aqueous Zn-ion energy storage devices are promising candidates
for next-generation energy storage technologies. However, the lack of highly reversible
Zn2+-storage anode materials with low potential windows remains a primary concern.
Here, we report a two-dimensional polyarylimide covalent organic framework (PI-COF)
anode with high-kinetics Zn2+-storage capability. The well-organized pore channels
of PI-COF allow the high accessibility of the build-in redox-active carbonyl groups
and efficient ion diffusion with a low energy barrier. The constructed PI-COF
anode exhibits a specific capacity (332 C g–1 or 92 mAh g–1 at 0.7 A g–1), a high
rate capability (79.8% at 7 A g–1), and a long cycle life (85% over 4000 cycles).
In situ Raman investigation and first-principle calculations clarify the two-step
Zn2+-storage mechanism, in which imide carbonyl groups reversibly form negatively
charged enolates. Dendrite-free full Zn-ion devices are fabricated by coupling
PI-COF anodes with MnO2 cathodes, delivering excellent energy densities (23.9
∼ 66.5 Wh kg–1) and supercapacitor-level power densities (133 ∼ 4782 W kg–1).
This study demonstrates the feasibility of covalent organic framework as Zn2+-storage
anodes and shows a promising prospect for constructing reliable aqueous energy
storage devices.
author:
- first_name: Minghao
full_name: Yu, Minghao
last_name: Yu
- first_name: Naisa
full_name: Chandrasekhar, Naisa
last_name: Chandrasekhar
- 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: Khoa Hoang
full_name: Ly, Khoa Hoang
last_name: Ly
- first_name: Haozhe
full_name: Zhang, Haozhe
last_name: Zhang
- first_name: Evgenia
full_name: Dmitrieva, Evgenia
last_name: Dmitrieva
- first_name: Chaolun
full_name: Liang, Chaolun
last_name: Liang
- first_name: Xihong
full_name: Lu, Xihong
last_name: Lu
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
- first_name: S. Hossein
full_name: Mirhosseini, S. Hossein
id: '71051'
last_name: Mirhosseini
orcid: 0000-0001-6179-1545
- first_name: Inez M.
full_name: Weidinger, Inez M.
last_name: Weidinger
- first_name: Xinliang
full_name: Feng, Xinliang
last_name: Feng
citation:
ama: Yu M, Chandrasekhar N, Kormath Madam Raghupathy R, et al. A High-Rate Two-Dimensional
Polyarylimide Covalent Organic Framework Anode for Aqueous Zn-Ion Energy Storage
Devices. Journal of the American Chemical Society. 2020;142(46):19570-19578.
doi:10.1021/jacs.0c07992
apa: Yu, M., Chandrasekhar, N., Kormath Madam Raghupathy, R., Ly, K. H., Zhang,
H., Dmitrieva, E., Liang, C., Lu, X., Kühne, T., Mirhosseini, S. H., Weidinger,
I. M., & Feng, X. (2020). A High-Rate Two-Dimensional Polyarylimide Covalent
Organic Framework Anode for Aqueous Zn-Ion Energy Storage Devices. Journal
of the American Chemical Society, 142(46), 19570–19578. https://doi.org/10.1021/jacs.0c07992
bibtex: '@article{Yu_Chandrasekhar_Kormath Madam Raghupathy_Ly_Zhang_Dmitrieva_Liang_Lu_Kühne_Mirhosseini_et
al._2020, title={A High-Rate Two-Dimensional Polyarylimide Covalent Organic Framework
Anode for Aqueous Zn-Ion Energy Storage Devices}, volume={142}, DOI={10.1021/jacs.0c07992},
number={46}, journal={Journal of the American Chemical Society}, publisher={American
Chemical Society}, author={Yu, Minghao and Chandrasekhar, Naisa and Kormath Madam
Raghupathy, Ramya and Ly, Khoa Hoang and Zhang, Haozhe and Dmitrieva, Evgenia
and Liang, Chaolun and Lu, Xihong and Kühne, Thomas and Mirhosseini, S. Hossein
and et al.}, year={2020}, pages={19570–19578} }'
chicago: 'Yu, Minghao, Naisa Chandrasekhar, Ramya Kormath Madam Raghupathy, Khoa
Hoang Ly, Haozhe Zhang, Evgenia Dmitrieva, Chaolun Liang, et al. “A High-Rate
Two-Dimensional Polyarylimide Covalent Organic Framework Anode for Aqueous Zn-Ion
Energy Storage Devices.” Journal of the American Chemical Society 142,
no. 46 (2020): 19570–78. https://doi.org/10.1021/jacs.0c07992.'
ieee: 'M. Yu et al., “A High-Rate Two-Dimensional Polyarylimide Covalent
Organic Framework Anode for Aqueous Zn-Ion Energy Storage Devices,” Journal
of the American Chemical Society, vol. 142, no. 46, pp. 19570–19578, 2020,
doi: 10.1021/jacs.0c07992.'
mla: Yu, Minghao, et al. “A High-Rate Two-Dimensional Polyarylimide Covalent Organic
Framework Anode for Aqueous Zn-Ion Energy Storage Devices.” Journal of the
American Chemical Society, vol. 142, no. 46, American Chemical Society, 2020,
pp. 19570–78, doi:10.1021/jacs.0c07992.
short: M. Yu, N. Chandrasekhar, R. Kormath Madam Raghupathy, K.H. Ly, H. Zhang,
E. Dmitrieva, C. Liang, X. Lu, T. Kühne, S.H. Mirhosseini, I.M. Weidinger, X.
Feng, Journal of the American Chemical Society 142 (2020) 19570–19578.
date_created: 2021-02-16T11:28:04Z
date_updated: 2022-07-21T09:38:24Z
department:
- _id: '304'
doi: 10.1021/jacs.0c07992
intvolume: ' 142'
issue: '46'
language:
- iso: eng
page: 19570-19578
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Journal of the American Chemical Society
publication_identifier:
issn:
- 0002-7863
publisher: American Chemical Society
status: public
title: A High-Rate Two-Dimensional Polyarylimide Covalent Organic Framework Anode
for Aqueous Zn-Ion Energy Storage Devices
type: journal_article
user_id: '71051'
volume: 142
year: '2020'
...
---
_id: '17374'
abstract:
- lang: eng
text: Lead halide perovskite semiconductors providing record efficiencies of solar
cells have usually mixed compositions doped in A- and X-sites to enhance the phase
stability. The cubic form of formamidinium (FA) lead iodide reveals excellent
opto-electronic properties but transforms at room temperature (RT) into a hexagonal
structure which does not effectively absorb visible light. This metastable form
and the mechanism of its stabilization by Cs+ and Br− incorporation are poorly
characterized and insufficiently understood. We report here the vibrational properties
of cubic FAPbI3 investigated by DFT calculations on phonon frequencies and intensities,
and micro-Raman spectroscopy. The effects of Cs+ and Br− partial substitution
are discussed. We support our results with the study of FAPbBr3 which expands
the identification of vibrational modes to the previously unpublished low frequency
region (<500 cm−1). Our results show that the incorporation of Cs+ and Br− leads
to the coupling of the displacement of the A-site components and weakens the bonds
between FA+ and the PbX6 octahedra. We suggest that the enhancement of α-FAPbI3
stability can be a product of the release of tensile stresses in the Pb–X bond,
which is reflected in a red-shift of the low frequency region of the Raman spectrum
(<200 cm−1).
author:
- first_name: Josefa
full_name: Ibaceta-Jaña, Josefa
last_name: Ibaceta-Jaña
- first_name: Ruslan
full_name: Muydinov, Ruslan
last_name: Muydinov
- first_name: Pamela
full_name: Rosado, Pamela
last_name: Rosado
- first_name: Hossein
full_name: Mirhosseini, Hossein
id: '71051'
last_name: Mirhosseini
orcid: https://orcid.org/0000-0001-6179-1545
- first_name: Manjusha
full_name: Chugh, Manjusha
id: '71511'
last_name: Chugh
- first_name: Olga
full_name: Nazarenko, Olga
last_name: Nazarenko
- first_name: Dmitry N.
full_name: Dirin, Dmitry N.
last_name: Dirin
- first_name: Dirk
full_name: Heinrich, Dirk
last_name: Heinrich
- first_name: Markus R.
full_name: Wagner, Markus R.
last_name: Wagner
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
- first_name: Bernd
full_name: Szyszka, Bernd
last_name: Szyszka
- first_name: Maksym V.
full_name: Kovalenko, Maksym V.
last_name: Kovalenko
- first_name: Axel
full_name: Hoffmann, Axel
last_name: Hoffmann
citation:
ama: Ibaceta-Jaña J, Muydinov R, Rosado P, et al. Vibrational dynamics in lead halide
hybrid perovskites investigated by Raman spectroscopy. Phys Chem Chem Phys.
2020;22:5604-5614. doi:10.1039/C9CP06568G
apa: Ibaceta-Jaña, J., Muydinov, R., Rosado, P., Mirhosseini, H., Chugh, M., Nazarenko,
O., Dirin, D. N., Heinrich, D., Wagner, M. R., Kühne, T., Szyszka, B., Kovalenko,
M. V., & Hoffmann, A. (2020). Vibrational dynamics in lead halide hybrid perovskites
investigated by Raman spectroscopy. Phys. Chem. Chem. Phys., 22,
5604–5614. https://doi.org/10.1039/C9CP06568G
bibtex: '@article{Ibaceta-Jaña_Muydinov_Rosado_Mirhosseini_Chugh_Nazarenko_Dirin_Heinrich_Wagner_Kühne_et
al._2020, title={Vibrational dynamics in lead halide hybrid perovskites investigated
by Raman spectroscopy}, volume={22}, DOI={10.1039/C9CP06568G},
journal={Phys. Chem. Chem. Phys.}, publisher={The Royal Society of Chemistry},
author={Ibaceta-Jaña, Josefa and Muydinov, Ruslan and Rosado, Pamela and Mirhosseini,
Hossein and Chugh, Manjusha and Nazarenko, Olga and Dirin, Dmitry N. and Heinrich,
Dirk and Wagner, Markus R. and Kühne, Thomas and et al.}, year={2020}, pages={5604–5614}
}'
chicago: 'Ibaceta-Jaña, Josefa, Ruslan Muydinov, Pamela Rosado, Hossein Mirhosseini,
Manjusha Chugh, Olga Nazarenko, Dmitry N. Dirin, et al. “Vibrational Dynamics
in Lead Halide Hybrid Perovskites Investigated by Raman Spectroscopy.” Phys.
Chem. Chem. Phys. 22 (2020): 5604–14. https://doi.org/10.1039/C9CP06568G.'
ieee: 'J. Ibaceta-Jaña et al., “Vibrational dynamics in lead halide hybrid
perovskites investigated by Raman spectroscopy,” Phys. Chem. Chem. Phys.,
vol. 22, pp. 5604–5614, 2020, doi: 10.1039/C9CP06568G.'
mla: Ibaceta-Jaña, Josefa, et al. “Vibrational Dynamics in Lead Halide Hybrid Perovskites
Investigated by Raman Spectroscopy.” Phys. Chem. Chem. Phys., vol. 22,
The Royal Society of Chemistry, 2020, pp. 5604–14, doi:10.1039/C9CP06568G.
short: J. Ibaceta-Jaña, R. Muydinov, P. Rosado, H. Mirhosseini, M. Chugh, O. Nazarenko,
D.N. Dirin, D. Heinrich, M.R. Wagner, T. Kühne, B. Szyszka, M.V. Kovalenko, A.
Hoffmann, Phys. Chem. Chem. Phys. 22 (2020) 5604–5614.
date_created: 2020-07-14T09:10:16Z
date_updated: 2022-07-21T09:37:51Z
department:
- _id: '304'
doi: 10.1039/C9CP06568G
intvolume: ' 22'
language:
- iso: eng
page: 5604-5614
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Phys. Chem. Chem. Phys.
publisher: The Royal Society of Chemistry
status: public
title: Vibrational dynamics in lead halide hybrid perovskites investigated by Raman
spectroscopy
type: journal_article
user_id: '71051'
volume: 22
year: '2020'
...
---
_id: '17376'
abstract:
- lang: eng
text: The record conversion efficiency of thin-film solar cells based on Cu(In,Ga)Se2
(CIGS) absorbers has exceeded 23%. Such a high performance is currently only attainable
by the incorporation of heavy alkali metals like Cs into the absorber through
an alkali fluoride post-deposition treatment (PDT). As the effect of the incorporated
heavy alkali metals is under discussion, we investigated the local composition
and microstructure of high efficiency CIGS solar cells via various high-resolution
techniques in a combinatory approach. An accumulation of Cs is clearly detected
at the p-n junction along with variations in the local CIGS composition, showing
the formation of a beneficial secondary phase with a laterally inhomogeneous distribution.
Additionally, Cs accumulations were detected at grain boundaries with a random
misorientation of the adjacent grains where a reduced Cu concentration and increased
In and Se concentrations are detected. No accumulation was found at Σ3 twin boundaries
as well as the grain interior. These experimental findings are in excellent agreement
with complementary ab-initio calculations, demonstrating that the grain boundaries
are passivated by the presence of Cs. Further, it is unlikely that Cs with its
large ionic radius is incorporated into the CIGS grains where it would cause detrimental
defects.
author:
- first_name: Philipp
full_name: Schöppe, Philipp
last_name: Schöppe
- first_name: Sven
full_name: Schönherr, Sven
last_name: Schönherr
- first_name: Manjusha
full_name: Chugh, Manjusha
id: '71511'
last_name: Chugh
- first_name: Hossein
full_name: Mirhosseini, Hossein
id: '71051'
last_name: Mirhosseini
orcid: https://orcid.org/0000-0001-6179-1545
- first_name: Philip
full_name: Jackson, Philip
last_name: Jackson
- first_name: Roland
full_name: Wuerz, Roland
last_name: Wuerz
- first_name: Maurizio
full_name: Ritzer, Maurizio
last_name: Ritzer
- first_name: Andreas
full_name: Johannes, Andreas
last_name: Johannes
- first_name: Gema
full_name: Martínez-Criado, Gema
last_name: Martínez-Criado
- first_name: Wolfgang
full_name: Wisniewski, Wolfgang
last_name: Wisniewski
- first_name: Torsten
full_name: Schwarz, Torsten
last_name: Schwarz
- first_name: Christian
full_name: T. Plass, Christian
last_name: T. Plass
- first_name: Martin
full_name: Hafermann, Martin
last_name: Hafermann
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
- first_name: Claudia
full_name: S. Schnohr, Claudia
last_name: S. Schnohr
- first_name: Carsten
full_name: Ronning, Carsten
last_name: Ronning
citation:
ama: Schöppe P, Schönherr S, Chugh M, et al. Revealing the origin of the beneficial
effect of cesium in highly efficient Cu(In,Ga)Se2 solar cells. Nano Energy.
2020;71:104622. doi:https://doi.org/10.1016/j.nanoen.2020.104622
apa: Schöppe, P., Schönherr, S., Chugh, M., Mirhosseini, H., Jackson, P., Wuerz,
R., Ritzer, M., Johannes, A., Martínez-Criado, G., Wisniewski, W., Schwarz, T.,
T. Plass, C., Hafermann, M., Kühne, T., S. Schnohr, C., & Ronning, C. (2020).
Revealing the origin of the beneficial effect of cesium in highly efficient Cu(In,Ga)Se2
solar cells. Nano Energy, 71, 104622. https://doi.org/10.1016/j.nanoen.2020.104622
bibtex: '@article{Schöppe_Schönherr_Chugh_Mirhosseini_Jackson_Wuerz_Ritzer_Johannes_Martínez-Criado_Wisniewski_et
al._2020, title={Revealing the origin of the beneficial effect of cesium in highly
efficient Cu(In,Ga)Se2 solar cells}, volume={71}, DOI={https://doi.org/10.1016/j.nanoen.2020.104622},
journal={Nano Energy}, author={Schöppe, Philipp and Schönherr, Sven and Chugh,
Manjusha and Mirhosseini, Hossein and Jackson, Philip and Wuerz, Roland and Ritzer,
Maurizio and Johannes, Andreas and Martínez-Criado, Gema and Wisniewski, Wolfgang
and et al.}, year={2020}, pages={104622} }'
chicago: 'Schöppe, Philipp, Sven Schönherr, Manjusha Chugh, Hossein Mirhosseini,
Philip Jackson, Roland Wuerz, Maurizio Ritzer, et al. “Revealing the Origin of
the Beneficial Effect of Cesium in Highly Efficient Cu(In,Ga)Se2 Solar Cells.”
Nano Energy 71 (2020): 104622. https://doi.org/10.1016/j.nanoen.2020.104622.'
ieee: 'P. Schöppe et al., “Revealing the origin of the beneficial effect
of cesium in highly efficient Cu(In,Ga)Se2 solar cells,” Nano Energy, vol.
71, p. 104622, 2020, doi: https://doi.org/10.1016/j.nanoen.2020.104622.'
mla: Schöppe, Philipp, et al. “Revealing the Origin of the Beneficial Effect of
Cesium in Highly Efficient Cu(In,Ga)Se2 Solar Cells.” Nano Energy, vol.
71, 2020, p. 104622, doi:https://doi.org/10.1016/j.nanoen.2020.104622.
short: P. Schöppe, S. Schönherr, M. Chugh, H. Mirhosseini, P. Jackson, R. Wuerz,
M. Ritzer, A. Johannes, G. Martínez-Criado, W. Wisniewski, T. Schwarz, C. T. Plass,
M. Hafermann, T. Kühne, C. S. Schnohr, C. Ronning, Nano Energy 71 (2020) 104622.
date_created: 2020-07-14T09:15:14Z
date_updated: 2022-07-21T09:46:46Z
department:
- _id: '304'
doi: https://doi.org/10.1016/j.nanoen.2020.104622
intvolume: ' 71'
language:
- iso: eng
page: '104622'
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Nano Energy
publication_identifier:
issn:
- 2211-2855
status: public
title: Revealing the origin of the beneficial effect of cesium in highly efficient
Cu(In,Ga)Se2 solar cells
type: journal_article
user_id: '71051'
volume: 71
year: '2020'
...