---
_id: '64012'
author:
- first_name: Jiquan
full_name: Liu, Jiquan
last_name: Liu
- first_name: Pedro B.
full_name: Groszewicz, Pedro B.
last_name: Groszewicz
- first_name: Qingbo
full_name: Wen, Qingbo
last_name: Wen
- first_name: Aany Sofia Lilly
full_name: Thankamony, Aany Sofia Lilly
last_name: Thankamony
- first_name: Bin
full_name: Zhang, Bin
last_name: Zhang
- first_name: Ulrike
full_name: Kunz, Ulrike
last_name: Kunz
- first_name: Grit
full_name: Sauer, Grit
last_name: Sauer
- first_name: Yeping
full_name: Xu, Yeping
last_name: Xu
- first_name: Torsten
full_name: Gutmann, Torsten
id: '118165'
last_name: Gutmann
- first_name: Gerd
full_name: Buntkowsky, Gerd
last_name: Buntkowsky
citation:
ama: Liu J, Groszewicz PB, Wen Q, et al. Revealing Structure Reactivity Relationships
in Heterogenized Dirhodium Catalysts by Solid-State NMR Techniques. Journal
of Physical Chemistry C. 2017;121(32):17409–17416. doi:10.1021/acs.jpcc.7b06807
apa: Liu, J., Groszewicz, P. B., Wen, Q., Thankamony, A. S. L., Zhang, B., Kunz,
U., Sauer, G., Xu, Y., Gutmann, T., & Buntkowsky, G. (2017). Revealing Structure
Reactivity Relationships in Heterogenized Dirhodium Catalysts by Solid-State NMR
Techniques. Journal of Physical Chemistry C, 121(32), 17409–17416.
https://doi.org/10.1021/acs.jpcc.7b06807
bibtex: '@article{Liu_Groszewicz_Wen_Thankamony_Zhang_Kunz_Sauer_Xu_Gutmann_Buntkowsky_2017,
title={Revealing Structure Reactivity Relationships in Heterogenized Dirhodium
Catalysts by Solid-State NMR Techniques}, volume={121}, DOI={10.1021/acs.jpcc.7b06807},
number={32}, journal={Journal of Physical Chemistry C}, publisher={American Chemical
Society}, author={Liu, Jiquan and Groszewicz, Pedro B. and Wen, Qingbo and Thankamony,
Aany Sofia Lilly and Zhang, Bin and Kunz, Ulrike and Sauer, Grit and Xu, Yeping
and Gutmann, Torsten and Buntkowsky, Gerd}, year={2017}, pages={17409–17416} }'
chicago: 'Liu, Jiquan, Pedro B. Groszewicz, Qingbo Wen, Aany Sofia Lilly Thankamony,
Bin Zhang, Ulrike Kunz, Grit Sauer, Yeping Xu, Torsten Gutmann, and Gerd Buntkowsky.
“Revealing Structure Reactivity Relationships in Heterogenized Dirhodium Catalysts
by Solid-State NMR Techniques.” Journal of Physical Chemistry C 121, no.
32 (2017): 17409–17416. https://doi.org/10.1021/acs.jpcc.7b06807.'
ieee: 'J. Liu et al., “Revealing Structure Reactivity Relationships in Heterogenized
Dirhodium Catalysts by Solid-State NMR Techniques,” Journal of Physical Chemistry
C, vol. 121, no. 32, pp. 17409–17416, 2017, doi: 10.1021/acs.jpcc.7b06807.'
mla: Liu, Jiquan, et al. “Revealing Structure Reactivity Relationships in Heterogenized
Dirhodium Catalysts by Solid-State NMR Techniques.” Journal of Physical Chemistry
C, vol. 121, no. 32, American Chemical Society, 2017, pp. 17409–17416, doi:10.1021/acs.jpcc.7b06807.
short: J. Liu, P.B. Groszewicz, Q. Wen, A.S.L. Thankamony, B. Zhang, U. Kunz, G.
Sauer, Y. Xu, T. Gutmann, G. Buntkowsky, Journal of Physical Chemistry C 121 (2017)
17409–17416.
date_created: 2026-02-07T15:59:06Z
date_updated: 2026-02-17T16:15:18Z
doi: 10.1021/acs.jpcc.7b06807
extern: '1'
intvolume: ' 121'
issue: '32'
language:
- iso: eng
page: 17409–17416
publication: Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
publisher: American Chemical Society
status: public
title: Revealing Structure Reactivity Relationships in Heterogenized Dirhodium Catalysts
by Solid-State NMR Techniques
type: journal_article
user_id: '100715'
volume: 121
year: '2017'
...
---
_id: '63979'
author:
- first_name: Markus M.
full_name: Hoffmann, Markus M.
last_name: Hoffmann
- first_name: Sarah
full_name: Bothe, Sarah
last_name: Bothe
- first_name: Torsten
full_name: Gutmann, Torsten
id: '118165'
last_name: Gutmann
- first_name: Frank-Frederik
full_name: Hartmann, Frank-Frederik
last_name: Hartmann
- first_name: Michael
full_name: Reggelin, Michael
last_name: Reggelin
- first_name: Gerd
full_name: Buntkowsky, Gerd
last_name: Buntkowsky
citation:
ama: Hoffmann MM, Bothe S, Gutmann T, Hartmann F-F, Reggelin M, Buntkowsky G. Directly
vs Indirectly Enhanced 13C in Dynamic Nuclear Polarization Magic Angle Spinning
NMR Experiments of Nonionic Surfactant Systems. Journal of Physical Chemistry
C. 2017;121(4):2418–2427. doi:10.1021/acs.jpcc.6b13087
apa: Hoffmann, M. M., Bothe, S., Gutmann, T., Hartmann, F.-F., Reggelin, M., &
Buntkowsky, G. (2017). Directly vs Indirectly Enhanced 13C in Dynamic Nuclear
Polarization Magic Angle Spinning NMR Experiments of Nonionic Surfactant Systems.
Journal of Physical Chemistry C, 121(4), 2418–2427. https://doi.org/10.1021/acs.jpcc.6b13087
bibtex: '@article{Hoffmann_Bothe_Gutmann_Hartmann_Reggelin_Buntkowsky_2017, title={Directly
vs Indirectly Enhanced 13C in Dynamic Nuclear Polarization Magic Angle Spinning
NMR Experiments of Nonionic Surfactant Systems}, volume={121}, DOI={10.1021/acs.jpcc.6b13087},
number={4}, journal={Journal of Physical Chemistry C}, publisher={American Chemical
Society}, author={Hoffmann, Markus M. and Bothe, Sarah and Gutmann, Torsten and
Hartmann, Frank-Frederik and Reggelin, Michael and Buntkowsky, Gerd}, year={2017},
pages={2418–2427} }'
chicago: 'Hoffmann, Markus M., Sarah Bothe, Torsten Gutmann, Frank-Frederik Hartmann,
Michael Reggelin, and Gerd Buntkowsky. “Directly vs Indirectly Enhanced 13C in
Dynamic Nuclear Polarization Magic Angle Spinning NMR Experiments of Nonionic
Surfactant Systems.” Journal of Physical Chemistry C 121, no. 4 (2017):
2418–2427. https://doi.org/10.1021/acs.jpcc.6b13087.'
ieee: 'M. M. Hoffmann, S. Bothe, T. Gutmann, F.-F. Hartmann, M. Reggelin, and G.
Buntkowsky, “Directly vs Indirectly Enhanced 13C in Dynamic Nuclear Polarization
Magic Angle Spinning NMR Experiments of Nonionic Surfactant Systems,” Journal
of Physical Chemistry C, vol. 121, no. 4, pp. 2418–2427, 2017, doi: 10.1021/acs.jpcc.6b13087.'
mla: Hoffmann, Markus M., et al. “Directly vs Indirectly Enhanced 13C in Dynamic
Nuclear Polarization Magic Angle Spinning NMR Experiments of Nonionic Surfactant
Systems.” Journal of Physical Chemistry C, vol. 121, no. 4, American Chemical
Society, 2017, pp. 2418–2427, doi:10.1021/acs.jpcc.6b13087.
short: M.M. Hoffmann, S. Bothe, T. Gutmann, F.-F. Hartmann, M. Reggelin, G. Buntkowsky,
Journal of Physical Chemistry C 121 (2017) 2418–2427.
date_created: 2026-02-07T15:43:37Z
date_updated: 2026-02-17T16:17:02Z
doi: 10.1021/acs.jpcc.6b13087
extern: '1'
intvolume: ' 121'
issue: '4'
language:
- iso: eng
page: 2418–2427
publication: Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
publisher: American Chemical Society
status: public
title: Directly vs Indirectly Enhanced 13C in Dynamic Nuclear Polarization Magic Angle
Spinning NMR Experiments of Nonionic Surfactant Systems
type: journal_article
user_id: '100715'
volume: 121
year: '2017'
...
---
_id: '63977'
author:
- first_name: Markus M.
full_name: Hoffmann, Markus M.
last_name: Hoffmann
- first_name: Sarah
full_name: Bothe, Sarah
last_name: Bothe
- first_name: Torsten
full_name: Gutmann, Torsten
id: '118165'
last_name: Gutmann
- first_name: Gerd
full_name: Buntkowsky, Gerd
last_name: Buntkowsky
citation:
ama: Hoffmann MM, Bothe S, Gutmann T, Buntkowsky G. Unusual Local Molecular Motions
in the Solid State Detected by Dynamic Nuclear Polarization Enhanced NMR Spectroscopy.
Journal of Physical Chemistry C. 2017;121(41):22948–22957. doi:10.1021/acs.jpcc.7b07965
apa: Hoffmann, M. M., Bothe, S., Gutmann, T., & Buntkowsky, G. (2017). Unusual
Local Molecular Motions in the Solid State Detected by Dynamic Nuclear Polarization
Enhanced NMR Spectroscopy. Journal of Physical Chemistry C, 121(41),
22948–22957. https://doi.org/10.1021/acs.jpcc.7b07965
bibtex: '@article{Hoffmann_Bothe_Gutmann_Buntkowsky_2017, title={Unusual Local Molecular
Motions in the Solid State Detected by Dynamic Nuclear Polarization Enhanced NMR
Spectroscopy}, volume={121}, DOI={10.1021/acs.jpcc.7b07965},
number={41}, journal={Journal of Physical Chemistry C}, publisher={American Chemical
Society}, author={Hoffmann, Markus M. and Bothe, Sarah and Gutmann, Torsten and
Buntkowsky, Gerd}, year={2017}, pages={22948–22957} }'
chicago: 'Hoffmann, Markus M., Sarah Bothe, Torsten Gutmann, and Gerd Buntkowsky.
“Unusual Local Molecular Motions in the Solid State Detected by Dynamic Nuclear
Polarization Enhanced NMR Spectroscopy.” Journal of Physical Chemistry C
121, no. 41 (2017): 22948–22957. https://doi.org/10.1021/acs.jpcc.7b07965.'
ieee: 'M. M. Hoffmann, S. Bothe, T. Gutmann, and G. Buntkowsky, “Unusual Local Molecular
Motions in the Solid State Detected by Dynamic Nuclear Polarization Enhanced NMR
Spectroscopy,” Journal of Physical Chemistry C, vol. 121, no. 41, pp. 22948–22957,
2017, doi: 10.1021/acs.jpcc.7b07965.'
mla: Hoffmann, Markus M., et al. “Unusual Local Molecular Motions in the Solid State
Detected by Dynamic Nuclear Polarization Enhanced NMR Spectroscopy.” Journal
of Physical Chemistry C, vol. 121, no. 41, American Chemical Society, 2017,
pp. 22948–22957, doi:10.1021/acs.jpcc.7b07965.
short: M.M. Hoffmann, S. Bothe, T. Gutmann, G. Buntkowsky, Journal of Physical Chemistry
C 121 (2017) 22948–22957.
date_created: 2026-02-07T15:42:53Z
date_updated: 2026-02-17T16:17:13Z
doi: 10.1021/acs.jpcc.7b07965
extern: '1'
intvolume: ' 121'
issue: '41'
language:
- iso: eng
page: 22948–22957
publication: Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
publisher: American Chemical Society
status: public
title: Unusual Local Molecular Motions in the Solid State Detected by Dynamic Nuclear
Polarization Enhanced NMR Spectroscopy
type: journal_article
user_id: '100715'
volume: 121
year: '2017'
...
---
_id: '63962'
author:
- first_name: Torsten
full_name: Gutmann, Torsten
id: '118165'
last_name: Gutmann
- first_name: Bharti
full_name: Kumari, Bharti
last_name: Kumari
- first_name: Li
full_name: Zhao, Li
last_name: Zhao
- first_name: Hergen
full_name: Breitzke, Hergen
last_name: Breitzke
- first_name: Sebastian
full_name: Schöttner, Sebastian
last_name: Schöttner
- first_name: Christian
full_name: Rüttiger, Christian
last_name: Rüttiger
- first_name: Markus
full_name: Gallei, Markus
last_name: Gallei
citation:
ama: Gutmann T, Kumari B, Zhao L, et al. Dynamic Nuclear Polarization Signal Amplification
as a Sensitive Probe for Specific Functionalization of Complex Paper Substrates.
Journal of Physical Chemistry C. 2017;121(7):3896–3903. doi:10.1021/acs.jpcc.6b11751
apa: Gutmann, T., Kumari, B., Zhao, L., Breitzke, H., Schöttner, S., Rüttiger, C.,
& Gallei, M. (2017). Dynamic Nuclear Polarization Signal Amplification as
a Sensitive Probe for Specific Functionalization of Complex Paper Substrates.
Journal of Physical Chemistry C, 121(7), 3896–3903. https://doi.org/10.1021/acs.jpcc.6b11751
bibtex: '@article{Gutmann_Kumari_Zhao_Breitzke_Schöttner_Rüttiger_Gallei_2017, title={Dynamic
Nuclear Polarization Signal Amplification as a Sensitive Probe for Specific Functionalization
of Complex Paper Substrates}, volume={121}, DOI={10.1021/acs.jpcc.6b11751},
number={7}, journal={Journal of Physical Chemistry C}, publisher={American Chemical
Society}, author={Gutmann, Torsten and Kumari, Bharti and Zhao, Li and Breitzke,
Hergen and Schöttner, Sebastian and Rüttiger, Christian and Gallei, Markus}, year={2017},
pages={3896–3903} }'
chicago: 'Gutmann, Torsten, Bharti Kumari, Li Zhao, Hergen Breitzke, Sebastian Schöttner,
Christian Rüttiger, and Markus Gallei. “Dynamic Nuclear Polarization Signal Amplification
as a Sensitive Probe for Specific Functionalization of Complex Paper Substrates.”
Journal of Physical Chemistry C 121, no. 7 (2017): 3896–3903. https://doi.org/10.1021/acs.jpcc.6b11751.'
ieee: 'T. Gutmann et al., “Dynamic Nuclear Polarization Signal Amplification
as a Sensitive Probe for Specific Functionalization of Complex Paper Substrates,”
Journal of Physical Chemistry C, vol. 121, no. 7, pp. 3896–3903, 2017,
doi: 10.1021/acs.jpcc.6b11751.'
mla: Gutmann, Torsten, et al. “Dynamic Nuclear Polarization Signal Amplification
as a Sensitive Probe for Specific Functionalization of Complex Paper Substrates.”
Journal of Physical Chemistry C, vol. 121, no. 7, American Chemical Society,
2017, pp. 3896–3903, doi:10.1021/acs.jpcc.6b11751.
short: T. Gutmann, B. Kumari, L. Zhao, H. Breitzke, S. Schöttner, C. Rüttiger, M.
Gallei, Journal of Physical Chemistry C 121 (2017) 3896–3903.
date_created: 2026-02-07T15:37:49Z
date_updated: 2026-02-17T16:17:51Z
doi: 10.1021/acs.jpcc.6b11751
extern: '1'
intvolume: ' 121'
issue: '7'
language:
- iso: eng
page: 3896–3903
publication: Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
publisher: American Chemical Society
status: public
title: Dynamic Nuclear Polarization Signal Amplification as a Sensitive Probe for
Specific Functionalization of Complex Paper Substrates
type: journal_article
user_id: '100715'
volume: 121
year: '2017'
...
---
_id: '63927'
abstract:
- lang: eng
text: A detailed study of the magnetic field dependent signal enhancement in solid-state
dynamic nuclear polarization (DNP) experiments is presented for a specific sample
consisting of AMUPol dissolved in the nonionic surfactant C10E6. C10E6 displays
a superposition of “direct” and “indirect channel” resonances in 13C MAS DNP NMR
spectra. The shapes of the DNP enhancement profiles are essentially identical
for the 1H MAS, 1H → 13C CP MAS, and 13C MAS indirect channel signals, which confirms
that the same polarization transfer process from electron to proton is responsible
for the obtained enhancements of these experiments. The shape of the DNP enhancement
profiles of 1H and of 13C direct channel resonances reveals that the cross effect
is the dominant polarization transfer mechanism for the studied sample. The magnitudes
of the 13C MAS DNP enhancement profiles for 1H → 13C CP MAS, direct and indirect
channel signals were found to be not uniform. For 1H → 13C CP MAS and the indirect
channel signals, this observation is related to relaxation effects of the methyl
group carbon. For the 13C MAS direct channel resonances, differences in magnitudes
are discussed in terms of preferential structural orientation of the polar ethylene
oxide headgroup of C10E6 toward the AMUPol radical.
author:
- first_name: Sarah
full_name: Bothe, Sarah
last_name: Bothe
- first_name: Markus M.
full_name: Hoffmann, Markus M.
last_name: Hoffmann
- first_name: Torsten
full_name: Gutmann, Torsten
id: '118165'
last_name: Gutmann
- first_name: Gerd
full_name: Buntkowsky, Gerd
last_name: Buntkowsky
citation:
ama: Bothe S, Hoffmann MM, Gutmann T, Buntkowsky G. Comparative Study of the Magnetic
Field Dependent Signal Enhancement in Solid-State Dynamic Nuclear Polarization
Experiments. Journal of Physical Chemistry C. 2017;121(48):27089–27097.
doi:10.1021/acs.jpcc.7b07967
apa: Bothe, S., Hoffmann, M. M., Gutmann, T., & Buntkowsky, G. (2017). Comparative
Study of the Magnetic Field Dependent Signal Enhancement in Solid-State Dynamic
Nuclear Polarization Experiments. Journal of Physical Chemistry C, 121(48),
27089–27097. https://doi.org/10.1021/acs.jpcc.7b07967
bibtex: '@article{Bothe_Hoffmann_Gutmann_Buntkowsky_2017, title={Comparative Study
of the Magnetic Field Dependent Signal Enhancement in Solid-State Dynamic Nuclear
Polarization Experiments}, volume={121}, DOI={10.1021/acs.jpcc.7b07967},
number={48}, journal={Journal of Physical Chemistry C}, publisher={American Chemical
Society}, author={Bothe, Sarah and Hoffmann, Markus M. and Gutmann, Torsten and
Buntkowsky, Gerd}, year={2017}, pages={27089–27097} }'
chicago: 'Bothe, Sarah, Markus M. Hoffmann, Torsten Gutmann, and Gerd Buntkowsky.
“Comparative Study of the Magnetic Field Dependent Signal Enhancement in Solid-State
Dynamic Nuclear Polarization Experiments.” Journal of Physical Chemistry C
121, no. 48 (2017): 27089–27097. https://doi.org/10.1021/acs.jpcc.7b07967.'
ieee: 'S. Bothe, M. M. Hoffmann, T. Gutmann, and G. Buntkowsky, “Comparative Study
of the Magnetic Field Dependent Signal Enhancement in Solid-State Dynamic Nuclear
Polarization Experiments,” Journal of Physical Chemistry C, vol. 121, no.
48, pp. 27089–27097, 2017, doi: 10.1021/acs.jpcc.7b07967.'
mla: Bothe, Sarah, et al. “Comparative Study of the Magnetic Field Dependent Signal
Enhancement in Solid-State Dynamic Nuclear Polarization Experiments.” Journal
of Physical Chemistry C, vol. 121, no. 48, American Chemical Society, 2017,
pp. 27089–27097, doi:10.1021/acs.jpcc.7b07967.
short: S. Bothe, M.M. Hoffmann, T. Gutmann, G. Buntkowsky, Journal of Physical Chemistry
C 121 (2017) 27089–27097.
date_created: 2026-02-07T08:59:47Z
date_updated: 2026-02-17T16:19:11Z
doi: 10.1021/acs.jpcc.7b07967
extern: '1'
intvolume: ' 121'
issue: '48'
language:
- iso: eng
page: 27089–27097
publication: Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
publisher: American Chemical Society
status: public
title: Comparative Study of the Magnetic Field Dependent Signal Enhancement in Solid-State
Dynamic Nuclear Polarization Experiments
type: journal_article
user_id: '100715'
volume: 121
year: '2017'
...
---
_id: '63920'
abstract:
- lang: eng
text: Coordinatively unsaturated sites (CUS) present a key feature of alumina based
catalysts as they are believed to act as Lewis-acid sites in heterogeneously catalyzed
reactions. In the present study, the direct observation of active species on a
fluoride-doped aluminum oxide catalyst is demonstrated. This new fluoride-doped
aluminum oxide exhibits strong Lewis-acid sites and superior catalytic activity
as compared to gamma-Al2O3. To emphasize the labile state of Lewis-acid sites,
two distinctive states of the catalysts surface are addressed using H-1-Al-27
cross polarization (CP) MAS NMR. On the one hand, the highly dehydrated and active
state after calcination at 700 degrees C and on the other hand the rehydrated
and catalytically inactive surface (produced by contact to air) are probed. These
experiments revealed the presence of significant amounts of coordinatively unsaturated
sites in the form of 4-and 5-fold coordinated Al-sites on the highly dehydrated
surface. In contrast to this, the rehydrated sample exhibited a severely restructured
surface caused by the chemisorption of H2O which is ’constituted in a manner that
was proposed in earlier models for gamma-Al2O3 surfaces.
author:
- first_name: L.
full_name: Ahrem, L.
last_name: Ahrem
- first_name: G.
full_name: Scholz, G.
last_name: Scholz
- first_name: Torsten
full_name: Gutmann, Torsten
id: '118165'
last_name: Gutmann
- first_name: B.
full_name: Calvo, B.
last_name: Calvo
- first_name: G.
full_name: Buntkowsky, G.
last_name: Buntkowsky
- first_name: E.
full_name: Kemnitz, E.
last_name: Kemnitz
citation:
ama: Ahrem L, Scholz G, Gutmann T, Calvo B, Buntkowsky G, Kemnitz E. Direct Observation
of Coordinatively Unsaturated Sites on the Surface of a Fluoride-Doped Alumina
Catalyst. Journal of Physical Chemistry C. 2017;121(22):12206–12213. doi:10.1021/acs.jpcc.7b02535
apa: Ahrem, L., Scholz, G., Gutmann, T., Calvo, B., Buntkowsky, G., & Kemnitz,
E. (2017). Direct Observation of Coordinatively Unsaturated Sites on the Surface
of a Fluoride-Doped Alumina Catalyst. Journal of Physical Chemistry C,
121(22), 12206–12213. https://doi.org/10.1021/acs.jpcc.7b02535
bibtex: '@article{Ahrem_Scholz_Gutmann_Calvo_Buntkowsky_Kemnitz_2017, title={Direct
Observation of Coordinatively Unsaturated Sites on the Surface of a Fluoride-Doped
Alumina Catalyst}, volume={121}, DOI={10.1021/acs.jpcc.7b02535},
number={22}, journal={Journal of Physical Chemistry C}, author={Ahrem, L. and
Scholz, G. and Gutmann, Torsten and Calvo, B. and Buntkowsky, G. and Kemnitz,
E.}, year={2017}, pages={12206–12213} }'
chicago: 'Ahrem, L., G. Scholz, Torsten Gutmann, B. Calvo, G. Buntkowsky, and E.
Kemnitz. “Direct Observation of Coordinatively Unsaturated Sites on the Surface
of a Fluoride-Doped Alumina Catalyst.” Journal of Physical Chemistry C
121, no. 22 (2017): 12206–12213. https://doi.org/10.1021/acs.jpcc.7b02535.'
ieee: 'L. Ahrem, G. Scholz, T. Gutmann, B. Calvo, G. Buntkowsky, and E. Kemnitz,
“Direct Observation of Coordinatively Unsaturated Sites on the Surface of a Fluoride-Doped
Alumina Catalyst,” Journal of Physical Chemistry C, vol. 121, no. 22, pp.
12206–12213, 2017, doi: 10.1021/acs.jpcc.7b02535.'
mla: Ahrem, L., et al. “Direct Observation of Coordinatively Unsaturated Sites on
the Surface of a Fluoride-Doped Alumina Catalyst.” Journal of Physical Chemistry
C, vol. 121, no. 22, 2017, pp. 12206–12213, doi:10.1021/acs.jpcc.7b02535.
short: L. Ahrem, G. Scholz, T. Gutmann, B. Calvo, G. Buntkowsky, E. Kemnitz, Journal
of Physical Chemistry C 121 (2017) 12206–12213.
date_created: 2026-02-07T08:56:18Z
date_updated: 2026-02-17T16:19:24Z
doi: 10.1021/acs.jpcc.7b02535
extern: '1'
intvolume: ' 121'
issue: '22'
keyword:
- al-27 nmr
- characterization
- Chemistry
- cross-polarization
- dynamic nuclear-polarization
- eta-alumina
- gamma-alumina
- hydroxy fluorides
- ions
- Materials Science
- pentacoordinated al3+
- Science & Technology - Other Topics
- solid-state nmr
- spectroscopic
- structural insights
language:
- iso: eng
page: 12206–12213
publication: Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
status: public
title: Direct Observation of Coordinatively Unsaturated Sites on the Surface of a
Fluoride-Doped Alumina Catalyst
type: journal_article
user_id: '100715'
volume: 121
year: '2017'
...
---
_id: '13424'
author:
- first_name: Hazem
full_name: Aldahhak, Hazem
id: '26687'
last_name: Aldahhak
- first_name: M.
full_name: Paszkiewicz, M.
last_name: Paszkiewicz
- first_name: F.
full_name: Allegretti, F.
last_name: Allegretti
- first_name: D. A.
full_name: Duncan, D. A.
last_name: Duncan
- first_name: S.
full_name: Tebi, S.
last_name: Tebi
- first_name: P. S.
full_name: Deimel, P. S.
last_name: Deimel
- first_name: P.
full_name: Casado Aguilar, P.
last_name: Casado Aguilar
- first_name: Y.-Q.
full_name: Zhang, Y.-Q.
last_name: Zhang
- first_name: A. C.
full_name: Papageorgiou, A. C.
last_name: Papageorgiou
- first_name: R.
full_name: Koch, R.
last_name: Koch
- first_name: J. V.
full_name: Barth, J. V.
last_name: Barth
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
- first_name: S.
full_name: Müllegger, S.
last_name: Müllegger
- first_name: W.
full_name: Schöfberger, W.
last_name: Schöfberger
- first_name: F.
full_name: Klappenberger, F.
last_name: Klappenberger
- first_name: E.
full_name: Rauls, E.
last_name: Rauls
- first_name: Uwe
full_name: Gerstmann, Uwe
id: '171'
last_name: Gerstmann
orcid: 0000-0002-4476-223X
citation:
ama: 'Aldahhak H, Paszkiewicz M, Allegretti F, et al. X-ray Spectroscopy of Thin
Film Free-Base Corroles: A Combined Theoretical and Experimental Characterization.
The Journal of Physical Chemistry C. 2017;121:2192-2200. doi:10.1021/acs.jpcc.6b09935'
apa: 'Aldahhak, H., Paszkiewicz, M., Allegretti, F., Duncan, D. A., Tebi, S., Deimel,
P. S., Casado Aguilar, P., Zhang, Y.-Q., Papageorgiou, A. C., Koch, R., Barth,
J. V., Schmidt, W. G., Müllegger, S., Schöfberger, W., Klappenberger, F., Rauls,
E., & Gerstmann, U. (2017). X-ray Spectroscopy of Thin Film Free-Base Corroles:
A Combined Theoretical and Experimental Characterization. The Journal of Physical
Chemistry C, 121, 2192–2200. https://doi.org/10.1021/acs.jpcc.6b09935'
bibtex: '@article{Aldahhak_Paszkiewicz_Allegretti_Duncan_Tebi_Deimel_Casado Aguilar_Zhang_Papageorgiou_Koch_et
al._2017, title={X-ray Spectroscopy of Thin Film Free-Base Corroles: A Combined
Theoretical and Experimental Characterization}, volume={121}, DOI={10.1021/acs.jpcc.6b09935},
journal={The Journal of Physical Chemistry C}, author={Aldahhak, Hazem and Paszkiewicz,
M. and Allegretti, F. and Duncan, D. A. and Tebi, S. and Deimel, P. S. and Casado
Aguilar, P. and Zhang, Y.-Q. and Papageorgiou, A. C. and Koch, R. and et al.},
year={2017}, pages={2192–2200} }'
chicago: 'Aldahhak, Hazem, M. Paszkiewicz, F. Allegretti, D. A. Duncan, S. Tebi,
P. S. Deimel, P. Casado Aguilar, et al. “X-Ray Spectroscopy of Thin Film Free-Base
Corroles: A Combined Theoretical and Experimental Characterization.” The Journal
of Physical Chemistry C 121 (2017): 2192–2200. https://doi.org/10.1021/acs.jpcc.6b09935.'
ieee: 'H. Aldahhak et al., “X-ray Spectroscopy of Thin Film Free-Base Corroles:
A Combined Theoretical and Experimental Characterization,” The Journal of Physical
Chemistry C, vol. 121, pp. 2192–2200, 2017, doi: 10.1021/acs.jpcc.6b09935.'
mla: 'Aldahhak, Hazem, et al. “X-Ray Spectroscopy of Thin Film Free-Base Corroles:
A Combined Theoretical and Experimental Characterization.” The Journal of Physical
Chemistry C, vol. 121, 2017, pp. 2192–200, doi:10.1021/acs.jpcc.6b09935.'
short: H. Aldahhak, M. Paszkiewicz, F. Allegretti, D.A. Duncan, S. Tebi, P.S. Deimel,
P. Casado Aguilar, Y.-Q. Zhang, A.C. Papageorgiou, R. Koch, J.V. Barth, W.G. Schmidt,
S. Müllegger, W. Schöfberger, F. Klappenberger, E. Rauls, U. Gerstmann, The Journal
of Physical Chemistry C 121 (2017) 2192–2200.
date_created: 2019-09-20T12:14:02Z
date_updated: 2025-12-05T10:09:30Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '790'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1021/acs.jpcc.6b09935
funded_apc: '1'
intvolume: ' 121'
language:
- iso: eng
page: 2192-2200
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: The Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
- 1932-7455
publication_status: published
status: public
title: 'X-ray Spectroscopy of Thin Film Free-Base Corroles: A Combined Theoretical
and Experimental Characterization'
type: journal_article
user_id: '16199'
volume: 121
year: '2017'
...
---
_id: '15734'
article_type: original
author:
- first_name: Elaheh
full_name: Ghorbani, Elaheh
last_name: Ghorbani
- first_name: Janos
full_name: Kiss, Janos
last_name: Kiss
- first_name: Hossein
full_name: Mirhosseini, Hossein
id: '71051'
last_name: Mirhosseini
orcid: https://orcid.org/0000-0001-6179-1545
- first_name: Markus
full_name: Schmidt, Markus
last_name: Schmidt
- first_name: Johannes
full_name: Windeln, Johannes
last_name: Windeln
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
- first_name: Claudia
full_name: Felser, Claudia
last_name: Felser
citation:
ama: Ghorbani E, Kiss J, Mirhosseini H, et al. Insights into Intrinsic Defects and
the Incorporation of Na and K in the Cu2ZnSnSe4 Thin-Film Solar Cell Material
from Hybrid-Functional Calculations. The Journal of Physical Chemistry C.
2016:2064-2069. doi:10.1021/acs.jpcc.5b11022
apa: Ghorbani, E., Kiss, J., Mirhosseini, H., Schmidt, M., Windeln, J., Kühne, T.,
& Felser, C. (2016). Insights into Intrinsic Defects and the Incorporation
of Na and K in the Cu2ZnSnSe4 Thin-Film Solar Cell Material from Hybrid-Functional
Calculations. The Journal of Physical Chemistry C, 2064–2069. https://doi.org/10.1021/acs.jpcc.5b11022
bibtex: '@article{Ghorbani_Kiss_Mirhosseini_Schmidt_Windeln_Kühne_Felser_2016, title={Insights
into Intrinsic Defects and the Incorporation of Na and K in the Cu2ZnSnSe4 Thin-Film
Solar Cell Material from Hybrid-Functional Calculations}, DOI={10.1021/acs.jpcc.5b11022},
journal={The Journal of Physical Chemistry C}, author={Ghorbani, Elaheh and Kiss,
Janos and Mirhosseini, Hossein and Schmidt, Markus and Windeln, Johannes and Kühne,
Thomas and Felser, Claudia}, year={2016}, pages={2064–2069} }'
chicago: Ghorbani, Elaheh, Janos Kiss, Hossein Mirhosseini, Markus Schmidt, Johannes
Windeln, Thomas Kühne, and Claudia Felser. “Insights into Intrinsic Defects and
the Incorporation of Na and K in the Cu2ZnSnSe4 Thin-Film Solar Cell Material
from Hybrid-Functional Calculations.” The Journal of Physical Chemistry C,
2016, 2064–69. https://doi.org/10.1021/acs.jpcc.5b11022.
ieee: E. Ghorbani et al., “Insights into Intrinsic Defects and the Incorporation
of Na and K in the Cu2ZnSnSe4 Thin-Film Solar Cell Material from Hybrid-Functional
Calculations,” The Journal of Physical Chemistry C, pp. 2064–2069, 2016.
mla: Ghorbani, Elaheh, et al. “Insights into Intrinsic Defects and the Incorporation
of Na and K in the Cu2ZnSnSe4 Thin-Film Solar Cell Material from Hybrid-Functional
Calculations.” The Journal of Physical Chemistry C, 2016, pp. 2064–69,
doi:10.1021/acs.jpcc.5b11022.
short: E. Ghorbani, J. Kiss, H. Mirhosseini, M. Schmidt, J. Windeln, T. Kühne, C.
Felser, The Journal of Physical Chemistry C (2016) 2064–2069.
date_created: 2020-01-30T13:10:14Z
date_updated: 2022-01-06T06:52:32Z
doi: 10.1021/acs.jpcc.5b11022
extern: '1'
language:
- iso: eng
page: 2064-2069
publication: The Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
- 1932-7455
publication_status: published
status: public
title: Insights into Intrinsic Defects and the Incorporation of Na and K in the Cu2ZnSnSe4
Thin-Film Solar Cell Material from Hybrid-Functional Calculations
type: journal_article
user_id: '71692'
year: '2016'
...
---
_id: '64065'
abstract:
- lang: eng
text: The structure and proton tautomerism of imidazole-doped cellulose (Cell-Im),
an excellent solid state proton conductor, has been studied by N-15 solid-state
NMR techniques. H-1-N-15 HETCOR NMR experiments allowed us to assign the water
and cellulose-OH resonances and to establish H-1-N-15 connectivities. N-15 CPMAS
NMR experiments showed that imidazole is immobile and its tautomerism quenched
below 263 K, whereas at higher temperatures, a broad distribution of slow and
fast exchanging protons is observed, where the fraction of the latter increases
with temperature. The tautomerism is found to be coupled to proton exchange with
water molecules. From an analysis of the temperature-dependent fractions of both
phases, a broad distribution of energies of activation of the tautomerization
of Cell-Im is obtained, exhibiting a maximum at 42 kJ mol(-1) and a width of 8.2
kJ mol(-1). The tautomerization is slower than in the case of imidazole dissolved
in wet organic solvents. These results indicate that imidazole is located in an
aqueous fluid phase between cellulose microfibrils, where proton exchange is assisted
by a fast molecular reorientation in transient hydrogen-bonded imidazole-water
complexes. The implications of these findings for the mechanism of proton conductivity
of Cell-Im are discussed. Finally, the potential of Dynamic Nuclear Polarization
(DNP) enhanced 15N-natural abundance CP-MAS NMR of these heterocyclic systems
is evaluated.
author:
- first_name: L.
full_name: Zhao, L.
last_name: Zhao
- first_name: I.
full_name: Smolarkiewicz, I.
last_name: Smolarkiewicz
- first_name: H. H.
full_name: Limbach, H. H.
last_name: Limbach
- first_name: H.
full_name: Breitzke, H.
last_name: Breitzke
- first_name: K.
full_name: Pogorzelec-Glaser, K.
last_name: Pogorzelec-Glaser
- first_name: R.
full_name: Pankiewicz, R.
last_name: Pankiewicz
- first_name: J.
full_name: Tritt-Goc, J.
last_name: Tritt-Goc
- first_name: Torsten
full_name: Gutmann, Torsten
id: '118165'
last_name: Gutmann
- first_name: G.
full_name: Buntkowsky, G.
last_name: Buntkowsky
citation:
ama: 'Zhao L, Smolarkiewicz I, Limbach HH, et al. Imidazole-Doped Cellulose as Membrane
for Fuel Cells: Structural and Dynamic Insights from Solid-State NMR. Journal
of Physical Chemistry C. 2016;120(35):19574–19585. doi:10.1021/acs.jpcc.6b07049'
apa: 'Zhao, L., Smolarkiewicz, I., Limbach, H. H., Breitzke, H., Pogorzelec-Glaser,
K., Pankiewicz, R., Tritt-Goc, J., Gutmann, T., & Buntkowsky, G. (2016). Imidazole-Doped
Cellulose as Membrane for Fuel Cells: Structural and Dynamic Insights from Solid-State
NMR. Journal of Physical Chemistry C, 120(35), 19574–19585. https://doi.org/10.1021/acs.jpcc.6b07049'
bibtex: '@article{Zhao_Smolarkiewicz_Limbach_Breitzke_Pogorzelec-Glaser_Pankiewicz_Tritt-Goc_Gutmann_Buntkowsky_2016,
title={Imidazole-Doped Cellulose as Membrane for Fuel Cells: Structural and Dynamic
Insights from Solid-State NMR}, volume={120}, DOI={10.1021/acs.jpcc.6b07049},
number={35}, journal={Journal of Physical Chemistry C}, author={Zhao, L. and Smolarkiewicz,
I. and Limbach, H. H. and Breitzke, H. and Pogorzelec-Glaser, K. and Pankiewicz,
R. and Tritt-Goc, J. and Gutmann, Torsten and Buntkowsky, G.}, year={2016}, pages={19574–19585}
}'
chicago: 'Zhao, L., I. Smolarkiewicz, H. H. Limbach, H. Breitzke, K. Pogorzelec-Glaser,
R. Pankiewicz, J. Tritt-Goc, Torsten Gutmann, and G. Buntkowsky. “Imidazole-Doped
Cellulose as Membrane for Fuel Cells: Structural and Dynamic Insights from Solid-State
NMR.” Journal of Physical Chemistry C 120, no. 35 (2016): 19574–19585.
https://doi.org/10.1021/acs.jpcc.6b07049.'
ieee: 'L. Zhao et al., “Imidazole-Doped Cellulose as Membrane for Fuel Cells:
Structural and Dynamic Insights from Solid-State NMR,” Journal of Physical
Chemistry C, vol. 120, no. 35, pp. 19574–19585, 2016, doi: 10.1021/acs.jpcc.6b07049.'
mla: 'Zhao, L., et al. “Imidazole-Doped Cellulose as Membrane for Fuel Cells: Structural
and Dynamic Insights from Solid-State NMR.” Journal of Physical Chemistry C,
vol. 120, no. 35, 2016, pp. 19574–19585, doi:10.1021/acs.jpcc.6b07049.'
short: L. Zhao, I. Smolarkiewicz, H.H. Limbach, H. Breitzke, K. Pogorzelec-Glaser,
R. Pankiewicz, J. Tritt-Goc, T. Gutmann, G. Buntkowsky, Journal of Physical Chemistry
C 120 (2016) 19574–19585.
date_created: 2026-02-07T16:20:10Z
date_updated: 2026-02-17T16:11:56Z
doi: 10.1021/acs.jpcc.6b07049
extern: '1'
intvolume: ' 120'
issue: '35'
language:
- iso: eng
page: 19574–19585
publication: Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
status: public
title: 'Imidazole-Doped Cellulose as Membrane for Fuel Cells: Structural and Dynamic
Insights from Solid-State NMR'
type: journal_article
user_id: '100715'
volume: 120
year: '2016'
...
---
_id: '13480'
author:
- first_name: A.
full_name: Paulheim, A.
last_name: Paulheim
- first_name: C.
full_name: Marquardt, C.
last_name: Marquardt
- first_name: Hazem
full_name: Aldahhak, Hazem
last_name: Aldahhak
- first_name: E.
full_name: Rauls, E.
last_name: Rauls
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
- first_name: M.
full_name: Sokolowski, M.
last_name: Sokolowski
citation:
ama: Paulheim A, Marquardt C, Aldahhak H, Rauls E, Schmidt WG, Sokolowski M. Inhomogeneous
and Homogeneous Line Broadening of Optical Spectra of PTCDA Molecules Adsorbed
at Step Edges of Alkali Halide Surfaces. The Journal of Physical Chemistry
C. 2016;10:11926-11937. doi:10.1021/acs.jpcc.6b01956
apa: Paulheim, A., Marquardt, C., Aldahhak, H., Rauls, E., Schmidt, W. G., &
Sokolowski, M. (2016). Inhomogeneous and Homogeneous Line Broadening of Optical
Spectra of PTCDA Molecules Adsorbed at Step Edges of Alkali Halide Surfaces. The
Journal of Physical Chemistry C, 10, 11926–11937. https://doi.org/10.1021/acs.jpcc.6b01956
bibtex: '@article{Paulheim_Marquardt_Aldahhak_Rauls_Schmidt_Sokolowski_2016, title={Inhomogeneous
and Homogeneous Line Broadening of Optical Spectra of PTCDA Molecules Adsorbed
at Step Edges of Alkali Halide Surfaces}, volume={10}, DOI={10.1021/acs.jpcc.6b01956},
journal={The Journal of Physical Chemistry C}, author={Paulheim, A. and Marquardt,
C. and Aldahhak, Hazem and Rauls, E. and Schmidt, Wolf Gero and Sokolowski, M.},
year={2016}, pages={11926–11937} }'
chicago: 'Paulheim, A., C. Marquardt, Hazem Aldahhak, E. Rauls, Wolf Gero Schmidt,
and M. Sokolowski. “Inhomogeneous and Homogeneous Line Broadening of Optical Spectra
of PTCDA Molecules Adsorbed at Step Edges of Alkali Halide Surfaces.” The Journal
of Physical Chemistry C 10 (2016): 11926–37. https://doi.org/10.1021/acs.jpcc.6b01956.'
ieee: 'A. Paulheim, C. Marquardt, H. Aldahhak, E. Rauls, W. G. Schmidt, and M. Sokolowski,
“Inhomogeneous and Homogeneous Line Broadening of Optical Spectra of PTCDA Molecules
Adsorbed at Step Edges of Alkali Halide Surfaces,” The Journal of Physical
Chemistry C, vol. 10, pp. 11926–11937, 2016, doi: 10.1021/acs.jpcc.6b01956.'
mla: Paulheim, A., et al. “Inhomogeneous and Homogeneous Line Broadening of Optical
Spectra of PTCDA Molecules Adsorbed at Step Edges of Alkali Halide Surfaces.”
The Journal of Physical Chemistry C, vol. 10, 2016, pp. 11926–37, doi:10.1021/acs.jpcc.6b01956.
short: A. Paulheim, C. Marquardt, H. Aldahhak, E. Rauls, W.G. Schmidt, M. Sokolowski,
The Journal of Physical Chemistry C 10 (2016) 11926–11937.
date_created: 2019-09-30T11:48:22Z
date_updated: 2025-12-05T10:24:01Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1021/acs.jpcc.6b01956
intvolume: ' 10'
language:
- iso: eng
page: 11926-11937
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: The Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
- 1932-7455
publication_status: published
status: public
title: Inhomogeneous and Homogeneous Line Broadening of Optical Spectra of PTCDA Molecules
Adsorbed at Step Edges of Alkali Halide Surfaces
type: journal_article
user_id: '16199'
volume: 10
year: '2016'
...
---
_id: '15856'
author:
- first_name: Joachim
full_name: Vollbrecht, Joachim
last_name: Vollbrecht
- first_name: Christian
full_name: Wiebeler, Christian
last_name: Wiebeler
- first_name: Adam
full_name: Neuba, Adam
last_name: Neuba
- first_name: Harald
full_name: Bock, Harald
last_name: Bock
- first_name: Stefan
full_name: Schumacher, Stefan
id: '27271'
last_name: Schumacher
orcid: 0000-0003-4042-4951
- first_name: Heinz-Siegfried
full_name: Kitzerow, Heinz-Siegfried
id: '254'
last_name: Kitzerow
citation:
ama: 'Vollbrecht J, Wiebeler C, Neuba A, Bock H, Schumacher S, Kitzerow H-S. Bay-Extended,
Distorted Perylene Esters Showing Visible Luminescence after Ultraviolet Excitation:
Photophysical and Electrochemical Analysis. The Journal of Physical Chemistry
C. Published online 2016:7839-7848. doi:10.1021/acs.jpcc.6b00954'
apa: 'Vollbrecht, J., Wiebeler, C., Neuba, A., Bock, H., Schumacher, S., & Kitzerow,
H.-S. (2016). Bay-Extended, Distorted Perylene Esters Showing Visible Luminescence
after Ultraviolet Excitation: Photophysical and Electrochemical Analysis. The
Journal of Physical Chemistry C, 7839–7848. https://doi.org/10.1021/acs.jpcc.6b00954'
bibtex: '@article{Vollbrecht_Wiebeler_Neuba_Bock_Schumacher_Kitzerow_2016, title={Bay-Extended,
Distorted Perylene Esters Showing Visible Luminescence after Ultraviolet Excitation:
Photophysical and Electrochemical Analysis}, DOI={10.1021/acs.jpcc.6b00954},
journal={The Journal of Physical Chemistry C}, author={Vollbrecht, Joachim and
Wiebeler, Christian and Neuba, Adam and Bock, Harald and Schumacher, Stefan and
Kitzerow, Heinz-Siegfried}, year={2016}, pages={7839–7848} }'
chicago: 'Vollbrecht, Joachim, Christian Wiebeler, Adam Neuba, Harald Bock, Stefan
Schumacher, and Heinz-Siegfried Kitzerow. “Bay-Extended, Distorted Perylene Esters
Showing Visible Luminescence after Ultraviolet Excitation: Photophysical and Electrochemical
Analysis.” The Journal of Physical Chemistry C, 2016, 7839–48. https://doi.org/10.1021/acs.jpcc.6b00954.'
ieee: 'J. Vollbrecht, C. Wiebeler, A. Neuba, H. Bock, S. Schumacher, and H.-S. Kitzerow,
“Bay-Extended, Distorted Perylene Esters Showing Visible Luminescence after Ultraviolet
Excitation: Photophysical and Electrochemical Analysis,” The Journal of Physical
Chemistry C, pp. 7839–7848, 2016, doi: 10.1021/acs.jpcc.6b00954.'
mla: 'Vollbrecht, Joachim, et al. “Bay-Extended, Distorted Perylene Esters Showing
Visible Luminescence after Ultraviolet Excitation: Photophysical and Electrochemical
Analysis.” The Journal of Physical Chemistry C, 2016, pp. 7839–48, doi:10.1021/acs.jpcc.6b00954.'
short: J. Vollbrecht, C. Wiebeler, A. Neuba, H. Bock, S. Schumacher, H.-S. Kitzerow,
The Journal of Physical Chemistry C (2016) 7839–7848.
date_created: 2020-02-10T11:44:30Z
date_updated: 2025-12-05T14:42:35Z
department:
- _id: '15'
- _id: '170'
- _id: '297'
- _id: '313'
- _id: '230'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1021/acs.jpcc.6b00954
language:
- iso: eng
page: 7839-7848
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: The Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
- 1932-7455
publication_status: published
status: public
title: 'Bay-Extended, Distorted Perylene Esters Showing Visible Luminescence after
Ultraviolet Excitation: Photophysical and Electrochemical Analysis'
type: journal_article
user_id: '16199'
year: '2016'
...
---
_id: '23634'
author:
- first_name: Julia
full_name: Haddad, Julia
last_name: Haddad
- first_name: Hans-Georg
full_name: Steinrück, Hans-Georg
id: '84268'
last_name: Steinrück
orcid: 0000-0001-6373-0877
- first_name: Htay
full_name: Hlaing, Htay
last_name: Hlaing
- first_name: Sumit
full_name: Kewalramani, Sumit
last_name: Kewalramani
- first_name: Diego
full_name: Pontoni, Diego
last_name: Pontoni
- first_name: Harald
full_name: Reichert, Harald
last_name: Reichert
- first_name: Bridget M.
full_name: Murphy, Bridget M.
last_name: Murphy
- first_name: Sven
full_name: Festersen, Sven
last_name: Festersen
- first_name: Benjamin
full_name: Runge, Benjamin
last_name: Runge
- first_name: Olaf M.
full_name: Magnussen, Olaf M.
last_name: Magnussen
- first_name: Andreas
full_name: Magerl, Andreas
last_name: Magerl
- first_name: Moshe
full_name: Deutsch, Moshe
last_name: Deutsch
- first_name: Benjamin M.
full_name: Ocko, Benjamin M.
last_name: Ocko
citation:
ama: Haddad J, Steinrück H-G, Hlaing H, et al. Order and Melting in Self-Assembled
Alkanol Monolayers on Amorphous SiO2. The Journal of Physical Chemistry C.
2015;119:17648-17654. doi:10.1021/acs.jpcc.5b03554
apa: Haddad, J., Steinrück, H.-G., Hlaing, H., Kewalramani, S., Pontoni, D., Reichert,
H., Murphy, B. M., Festersen, S., Runge, B., Magnussen, O. M., Magerl, A., Deutsch,
M., & Ocko, B. M. (2015). Order and Melting in Self-Assembled Alkanol Monolayers
on Amorphous SiO2. The Journal of Physical Chemistry C, 119, 17648–17654.
https://doi.org/10.1021/acs.jpcc.5b03554
bibtex: '@article{Haddad_Steinrück_Hlaing_Kewalramani_Pontoni_Reichert_Murphy_Festersen_Runge_Magnussen_et
al._2015, title={Order and Melting in Self-Assembled Alkanol Monolayers on Amorphous
SiO2}, volume={119}, DOI={10.1021/acs.jpcc.5b03554},
journal={The Journal of Physical Chemistry C}, author={Haddad, Julia and Steinrück,
Hans-Georg and Hlaing, Htay and Kewalramani, Sumit and Pontoni, Diego and Reichert,
Harald and Murphy, Bridget M. and Festersen, Sven and Runge, Benjamin and Magnussen,
Olaf M. and et al.}, year={2015}, pages={17648–17654} }'
chicago: 'Haddad, Julia, Hans-Georg Steinrück, Htay Hlaing, Sumit Kewalramani, Diego
Pontoni, Harald Reichert, Bridget M. Murphy, et al. “Order and Melting in Self-Assembled
Alkanol Monolayers on Amorphous SiO2.” The Journal of Physical Chemistry C
119 (2015): 17648–54. https://doi.org/10.1021/acs.jpcc.5b03554.'
ieee: 'J. Haddad et al., “Order and Melting in Self-Assembled Alkanol Monolayers
on Amorphous SiO2,” The Journal of Physical Chemistry C, vol. 119, pp.
17648–17654, 2015, doi: 10.1021/acs.jpcc.5b03554.'
mla: Haddad, Julia, et al. “Order and Melting in Self-Assembled Alkanol Monolayers
on Amorphous SiO2.” The Journal of Physical Chemistry C, vol. 119, 2015,
pp. 17648–54, doi:10.1021/acs.jpcc.5b03554.
short: J. Haddad, H.-G. Steinrück, H. Hlaing, S. Kewalramani, D. Pontoni, H. Reichert,
B.M. Murphy, S. Festersen, B. Runge, O.M. Magnussen, A. Magerl, M. Deutsch, B.M.
Ocko, The Journal of Physical Chemistry C 119 (2015) 17648–17654.
date_created: 2021-09-01T09:48:28Z
date_updated: 2022-01-06T06:55:57Z
department:
- _id: '633'
doi: 10.1021/acs.jpcc.5b03554
intvolume: ' 119'
language:
- iso: eng
page: 17648-17654
publication: The Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
- 1932-7455
publication_status: published
status: public
title: Order and Melting in Self-Assembled Alkanol Monolayers on Amorphous SiO2
type: journal_article
user_id: '84268'
volume: 119
year: '2015'
...
---
_id: '15736'
article_type: original
author:
- first_name: Elaheh
full_name: Ghorbani, Elaheh
last_name: Ghorbani
- first_name: Janos
full_name: Kiss, Janos
last_name: Kiss
- first_name: Hossein
full_name: Mirhosseini, Hossein
id: '71051'
last_name: Mirhosseini
orcid: https://orcid.org/0000-0001-6179-1545
- first_name: Guido
full_name: Roma, Guido
last_name: Roma
- first_name: Markus
full_name: Schmidt, Markus
last_name: Schmidt
- first_name: Johannes
full_name: Windeln, Johannes
last_name: Windeln
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
- first_name: Claudia
full_name: Felser, Claudia
last_name: Felser
citation:
ama: Ghorbani E, Kiss J, Mirhosseini H, et al. Hybrid-Functional Calculations on
the Incorporation of Na and K Impurities into the CuInSe2 and CuIn5Se8 Solar-Cell
Materials. The Journal of Physical Chemistry C. 2015:25197-25203. doi:10.1021/acs.jpcc.5b07639
apa: Ghorbani, E., Kiss, J., Mirhosseini, H., Roma, G., Schmidt, M., Windeln, J.,
… Felser, C. (2015). Hybrid-Functional Calculations on the Incorporation of Na
and K Impurities into the CuInSe2 and CuIn5Se8 Solar-Cell Materials. The Journal
of Physical Chemistry C, 25197–25203. https://doi.org/10.1021/acs.jpcc.5b07639
bibtex: '@article{Ghorbani_Kiss_Mirhosseini_Roma_Schmidt_Windeln_Kühne_Felser_2015,
title={Hybrid-Functional Calculations on the Incorporation of Na and K Impurities
into the CuInSe2 and CuIn5Se8 Solar-Cell Materials}, DOI={10.1021/acs.jpcc.5b07639},
journal={The Journal of Physical Chemistry C}, author={Ghorbani, Elaheh and Kiss,
Janos and Mirhosseini, Hossein and Roma, Guido and Schmidt, Markus and Windeln,
Johannes and Kühne, Thomas and Felser, Claudia}, year={2015}, pages={25197–25203}
}'
chicago: Ghorbani, Elaheh, Janos Kiss, Hossein Mirhosseini, Guido Roma, Markus Schmidt,
Johannes Windeln, Thomas Kühne, and Claudia Felser. “Hybrid-Functional Calculations
on the Incorporation of Na and K Impurities into the CuInSe2 and CuIn5Se8 Solar-Cell
Materials.” The Journal of Physical Chemistry C, 2015, 25197–203. https://doi.org/10.1021/acs.jpcc.5b07639.
ieee: E. Ghorbani et al., “Hybrid-Functional Calculations on the Incorporation
of Na and K Impurities into the CuInSe2 and CuIn5Se8 Solar-Cell Materials,” The
Journal of Physical Chemistry C, pp. 25197–25203, 2015.
mla: Ghorbani, Elaheh, et al. “Hybrid-Functional Calculations on the Incorporation
of Na and K Impurities into the CuInSe2 and CuIn5Se8 Solar-Cell Materials.” The
Journal of Physical Chemistry C, 2015, pp. 25197–203, doi:10.1021/acs.jpcc.5b07639.
short: E. Ghorbani, J. Kiss, H. Mirhosseini, G. Roma, M. Schmidt, J. Windeln, T.
Kühne, C. Felser, The Journal of Physical Chemistry C (2015) 25197–25203.
date_created: 2020-01-30T13:10:45Z
date_updated: 2022-01-06T06:52:32Z
doi: 10.1021/acs.jpcc.5b07639
extern: '1'
language:
- iso: eng
page: 25197-25203
publication: The Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
- 1932-7455
publication_status: published
status: public
title: Hybrid-Functional Calculations on the Incorporation of Na and K Impurities
into the CuInSe2 and CuIn5Se8 Solar-Cell Materials
type: journal_article
user_id: '71692'
year: '2015'
...
---
_id: '10029'
author:
- first_name: Christian
full_name: Braun, Christian
id: '28675'
last_name: Braun
orcid: 0000-0002-3224-2683
- first_name: Simone
full_name: Sanna, Simone
last_name: Sanna
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
citation:
ama: Braun C, Sanna S, Schmidt WG. Liquid Crystal (8CB) Molecular Adsorption on
Lithium Niobate Z-Cut Surfaces. The Journal of Physical Chemistry C. 2015:9342-9346.
doi:10.1021/acs.jpcc.5b00894
apa: Braun, C., Sanna, S., & Schmidt, W. G. (2015). Liquid Crystal (8CB) Molecular
Adsorption on Lithium Niobate Z-Cut Surfaces. The Journal of Physical Chemistry
C, 9342–9346. https://doi.org/10.1021/acs.jpcc.5b00894
bibtex: '@article{Braun_Sanna_Schmidt_2015, title={Liquid Crystal (8CB) Molecular
Adsorption on Lithium Niobate Z-Cut Surfaces}, DOI={10.1021/acs.jpcc.5b00894},
journal={The Journal of Physical Chemistry C}, author={Braun, Christian and Sanna,
Simone and Schmidt, Wolf Gero}, year={2015}, pages={9342–9346} }'
chicago: Braun, Christian, Simone Sanna, and Wolf Gero Schmidt. “Liquid Crystal
(8CB) Molecular Adsorption on Lithium Niobate Z-Cut Surfaces.” The Journal
of Physical Chemistry C, 2015, 9342–46. https://doi.org/10.1021/acs.jpcc.5b00894.
ieee: C. Braun, S. Sanna, and W. G. Schmidt, “Liquid Crystal (8CB) Molecular Adsorption
on Lithium Niobate Z-Cut Surfaces,” The Journal of Physical Chemistry C,
pp. 9342–9346, 2015.
mla: Braun, Christian, et al. “Liquid Crystal (8CB) Molecular Adsorption on Lithium
Niobate Z-Cut Surfaces.” The Journal of Physical Chemistry C, 2015, pp.
9342–46, doi:10.1021/acs.jpcc.5b00894.
short: C. Braun, S. Sanna, W.G. Schmidt, The Journal of Physical Chemistry C (2015)
9342–9346.
date_created: 2019-05-29T08:37:53Z
date_updated: 2022-01-06T06:50:26Z
department:
- _id: '15'
doi: 10.1021/acs.jpcc.5b00894
funded_apc: '1'
language:
- iso: eng
page: 9342-9346
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
- _id: '53'
name: TRR 142
- _id: '55'
name: TRR 142 - Project Area B
- _id: '69'
name: TRR 142 - Subproject B4
publication: The Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
- 1932-7455
publication_status: published
status: public
title: Liquid Crystal (8CB) Molecular Adsorption on Lithium Niobate Z-Cut Surfaces
type: journal_article
user_id: '16199'
year: '2015'
...
---
_id: '63972'
author:
- first_name: M.
full_name: Harrach, M.
last_name: Harrach
- first_name: B.
full_name: Drossel, B.
last_name: Drossel
- first_name: W.
full_name: Winschel, W.
last_name: Winschel
- first_name: Torsten
full_name: Gutmann, Torsten
id: '118165'
last_name: Gutmann
- first_name: G.
full_name: Buntkowsky, G.
last_name: Buntkowsky
citation:
ama: Harrach M, Drossel B, Winschel W, Gutmann T, Buntkowsky G. Mixtures of Isobutyric
Acid and Water Confined in Cylindrical (Silica)Nanopores Revisited - A Combined
Solid-State NMR and Molecular Dynamics Simulation Study. Journal of Physical
Chemistry C. 2015;119:28961–28969.
apa: Harrach, M., Drossel, B., Winschel, W., Gutmann, T., & Buntkowsky, G. (2015).
Mixtures of Isobutyric Acid and Water Confined in Cylindrical (Silica)Nanopores
Revisited - A Combined Solid-State NMR and Molecular Dynamics Simulation Study.
Journal of Physical Chemistry C, 119, 28961–28969.
bibtex: '@article{Harrach_Drossel_Winschel_Gutmann_Buntkowsky_2015, title={Mixtures
of Isobutyric Acid and Water Confined in Cylindrical (Silica)Nanopores Revisited
- A Combined Solid-State NMR and Molecular Dynamics Simulation Study}, volume={119},
journal={Journal of Physical Chemistry C}, author={Harrach, M. and Drossel, B.
and Winschel, W. and Gutmann, Torsten and Buntkowsky, G.}, year={2015}, pages={28961–28969}
}'
chicago: 'Harrach, M., B. Drossel, W. Winschel, Torsten Gutmann, and G. Buntkowsky.
“Mixtures of Isobutyric Acid and Water Confined in Cylindrical (Silica)Nanopores
Revisited - A Combined Solid-State NMR and Molecular Dynamics Simulation Study.”
Journal of Physical Chemistry C 119 (2015): 28961–28969.'
ieee: M. Harrach, B. Drossel, W. Winschel, T. Gutmann, and G. Buntkowsky, “Mixtures
of Isobutyric Acid and Water Confined in Cylindrical (Silica)Nanopores Revisited
- A Combined Solid-State NMR and Molecular Dynamics Simulation Study,” Journal
of Physical Chemistry C, vol. 119, pp. 28961–28969, 2015.
mla: Harrach, M., et al. “Mixtures of Isobutyric Acid and Water Confined in Cylindrical
(Silica)Nanopores Revisited - A Combined Solid-State NMR and Molecular Dynamics
Simulation Study.” Journal of Physical Chemistry C, vol. 119, 2015, pp.
28961–28969.
short: M. Harrach, B. Drossel, W. Winschel, T. Gutmann, G. Buntkowsky, Journal of
Physical Chemistry C 119 (2015) 28961–28969.
date_created: 2026-02-07T15:41:18Z
date_updated: 2026-02-17T16:17:27Z
extern: '1'
intvolume: ' 119'
language:
- iso: eng
page: 28961–28969
publication: Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
status: public
title: Mixtures of Isobutyric Acid and Water Confined in Cylindrical (Silica)Nanopores
Revisited - A Combined Solid-State NMR and Molecular Dynamics Simulation Study
type: journal_article
user_id: '100715'
volume: 119
year: '2015'
...
---
_id: '13499'
author:
- first_name: Peter
full_name: Thissen, Peter
last_name: Thissen
- first_name: Ehud
full_name: Fuchs, Ehud
last_name: Fuchs
- first_name: Katy
full_name: Roodenko, Katy
last_name: Roodenko
- first_name: Tatiana
full_name: Peixoto, Tatiana
last_name: Peixoto
- first_name: Ben
full_name: Batchelor, Ben
last_name: Batchelor
- first_name: Dennis
full_name: Smith, Dennis
last_name: Smith
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
- first_name: Yves
full_name: Chabal, Yves
last_name: Chabal
citation:
ama: Thissen P, Fuchs E, Roodenko K, et al. Nanopatterning on H-Terminated Si(111)
Explained as Dynamic Equilibrium of the Chemical Reaction with Methanol. The
Journal of Physical Chemistry C. 2015;119:16947-16953. doi:10.1021/acs.jpcc.5b03816
apa: Thissen, P., Fuchs, E., Roodenko, K., Peixoto, T., Batchelor, B., Smith, D.,
Schmidt, W. G., & Chabal, Y. (2015). Nanopatterning on H-Terminated Si(111)
Explained as Dynamic Equilibrium of the Chemical Reaction with Methanol. The
Journal of Physical Chemistry C, 119, 16947–16953. https://doi.org/10.1021/acs.jpcc.5b03816
bibtex: '@article{Thissen_Fuchs_Roodenko_Peixoto_Batchelor_Smith_Schmidt_Chabal_2015,
title={Nanopatterning on H-Terminated Si(111) Explained as Dynamic Equilibrium
of the Chemical Reaction with Methanol}, volume={119}, DOI={10.1021/acs.jpcc.5b03816},
journal={The Journal of Physical Chemistry C}, author={Thissen, Peter and Fuchs,
Ehud and Roodenko, Katy and Peixoto, Tatiana and Batchelor, Ben and Smith, Dennis
and Schmidt, Wolf Gero and Chabal, Yves}, year={2015}, pages={16947–16953} }'
chicago: 'Thissen, Peter, Ehud Fuchs, Katy Roodenko, Tatiana Peixoto, Ben Batchelor,
Dennis Smith, Wolf Gero Schmidt, and Yves Chabal. “Nanopatterning on H-Terminated
Si(111) Explained as Dynamic Equilibrium of the Chemical Reaction with Methanol.”
The Journal of Physical Chemistry C 119 (2015): 16947–53. https://doi.org/10.1021/acs.jpcc.5b03816.'
ieee: 'P. Thissen et al., “Nanopatterning on H-Terminated Si(111) Explained
as Dynamic Equilibrium of the Chemical Reaction with Methanol,” The Journal
of Physical Chemistry C, vol. 119, pp. 16947–16953, 2015, doi: 10.1021/acs.jpcc.5b03816.'
mla: Thissen, Peter, et al. “Nanopatterning on H-Terminated Si(111) Explained as
Dynamic Equilibrium of the Chemical Reaction with Methanol.” The Journal of
Physical Chemistry C, vol. 119, 2015, pp. 16947–53, doi:10.1021/acs.jpcc.5b03816.
short: P. Thissen, E. Fuchs, K. Roodenko, T. Peixoto, B. Batchelor, D. Smith, W.G.
Schmidt, Y. Chabal, The Journal of Physical Chemistry C 119 (2015) 16947–16953.
date_created: 2019-09-30T12:50:03Z
date_updated: 2025-12-05T10:39:10Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
doi: 10.1021/acs.jpcc.5b03816
intvolume: ' 119'
language:
- iso: eng
page: 16947-16953
publication: The Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
- 1932-7455
publication_status: published
status: public
title: Nanopatterning on H-Terminated Si(111) Explained as Dynamic Equilibrium of
the Chemical Reaction with Methanol
type: journal_article
user_id: '16199'
volume: 119
year: '2015'
...
---
_id: '15860'
author:
- first_name: Jean-Christophe
full_name: Denis, Jean-Christophe
last_name: Denis
- first_name: Stefan
full_name: Schumacher, Stefan
id: '27271'
last_name: Schumacher
orcid: 0000-0003-4042-4951
- first_name: Gordon J.
full_name: Hedley, Gordon J.
last_name: Hedley
- first_name: Arvydas
full_name: Ruseckas, Arvydas
last_name: Ruseckas
- first_name: Paulina O.
full_name: Morawska, Paulina O.
last_name: Morawska
- first_name: Yue
full_name: Wang, Yue
last_name: Wang
- first_name: Sybille
full_name: Allard, Sybille
last_name: Allard
- first_name: Ullrich
full_name: Scherf, Ullrich
last_name: Scherf
- first_name: Graham A.
full_name: Turnbull, Graham A.
last_name: Turnbull
- first_name: Ifor D. W.
full_name: Samuel, Ifor D. W.
last_name: Samuel
- first_name: Ian
full_name: Galbraith, Ian
last_name: Galbraith
citation:
ama: Denis J-C, Schumacher S, Hedley GJ, et al. Subpicosecond Exciton Dynamics in
Polyfluorene Films from Experiment and Microscopic Theory. The Journal of Physical
Chemistry C. Published online 2015:9734-9744. doi:10.1021/acs.jpcc.5b00680
apa: Denis, J.-C., Schumacher, S., Hedley, G. J., Ruseckas, A., Morawska, P. O.,
Wang, Y., Allard, S., Scherf, U., Turnbull, G. A., Samuel, I. D. W., & Galbraith,
I. (2015). Subpicosecond Exciton Dynamics in Polyfluorene Films from Experiment
and Microscopic Theory. The Journal of Physical Chemistry C, 9734–9744.
https://doi.org/10.1021/acs.jpcc.5b00680
bibtex: '@article{Denis_Schumacher_Hedley_Ruseckas_Morawska_Wang_Allard_Scherf_Turnbull_Samuel_et
al._2015, title={Subpicosecond Exciton Dynamics in Polyfluorene Films from Experiment
and Microscopic Theory}, DOI={10.1021/acs.jpcc.5b00680},
journal={The Journal of Physical Chemistry C}, author={Denis, Jean-Christophe
and Schumacher, Stefan and Hedley, Gordon J. and Ruseckas, Arvydas and Morawska,
Paulina O. and Wang, Yue and Allard, Sybille and Scherf, Ullrich and Turnbull,
Graham A. and Samuel, Ifor D. W. and et al.}, year={2015}, pages={9734–9744} }'
chicago: Denis, Jean-Christophe, Stefan Schumacher, Gordon J. Hedley, Arvydas Ruseckas,
Paulina O. Morawska, Yue Wang, Sybille Allard, et al. “Subpicosecond Exciton Dynamics
in Polyfluorene Films from Experiment and Microscopic Theory.” The Journal
of Physical Chemistry C, 2015, 9734–44. https://doi.org/10.1021/acs.jpcc.5b00680.
ieee: 'J.-C. Denis et al., “Subpicosecond Exciton Dynamics in Polyfluorene
Films from Experiment and Microscopic Theory,” The Journal of Physical Chemistry
C, pp. 9734–9744, 2015, doi: 10.1021/acs.jpcc.5b00680.'
mla: Denis, Jean-Christophe, et al. “Subpicosecond Exciton Dynamics in Polyfluorene
Films from Experiment and Microscopic Theory.” The Journal of Physical Chemistry
C, 2015, pp. 9734–44, doi:10.1021/acs.jpcc.5b00680.
short: J.-C. Denis, S. Schumacher, G.J. Hedley, A. Ruseckas, P.O. Morawska, Y. Wang,
S. Allard, U. Scherf, G.A. Turnbull, I.D.W. Samuel, I. Galbraith, The Journal
of Physical Chemistry C (2015) 9734–9744.
date_created: 2020-02-10T11:50:44Z
date_updated: 2025-12-05T14:47:36Z
department:
- _id: '15'
- _id: '170'
- _id: '297'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1021/acs.jpcc.5b00680
language:
- iso: eng
page: 9734-9744
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: The Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
- 1932-7455
publication_status: published
status: public
title: Subpicosecond Exciton Dynamics in Polyfluorene Films from Experiment and Microscopic
Theory
type: journal_article
user_id: '16199'
year: '2015'
...
---
_id: '10036'
author:
- first_name: Rebecca
full_name: Hölscher, Rebecca
last_name: Hölscher
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
- first_name: Simone
full_name: Sanna, Simone
last_name: Sanna
citation:
ama: Hölscher R, Schmidt WG, Sanna S. Modeling LiNbO3 Surfaces at Ambient Conditions.
The Journal of Physical Chemistry C. Published online 2014:10213-10220.
doi:10.1021/jp502936f
apa: Hölscher, R., Schmidt, W. G., & Sanna, S. (2014). Modeling LiNbO3 Surfaces
at Ambient Conditions. The Journal of Physical Chemistry C, 10213–10220.
https://doi.org/10.1021/jp502936f
bibtex: '@article{Hölscher_Schmidt_Sanna_2014, title={Modeling LiNbO3 Surfaces at
Ambient Conditions}, DOI={10.1021/jp502936f},
journal={The Journal of Physical Chemistry C}, author={Hölscher, Rebecca and Schmidt,
Wolf Gero and Sanna, Simone}, year={2014}, pages={10213–10220} }'
chicago: Hölscher, Rebecca, Wolf Gero Schmidt, and Simone Sanna. “Modeling LiNbO3
Surfaces at Ambient Conditions.” The Journal of Physical Chemistry C, 2014,
10213–20. https://doi.org/10.1021/jp502936f.
ieee: 'R. Hölscher, W. G. Schmidt, and S. Sanna, “Modeling LiNbO3 Surfaces at Ambient
Conditions,” The Journal of Physical Chemistry C, pp. 10213–10220, 2014,
doi: 10.1021/jp502936f.'
mla: Hölscher, Rebecca, et al. “Modeling LiNbO3 Surfaces at Ambient Conditions.”
The Journal of Physical Chemistry C, 2014, pp. 10213–20, doi:10.1021/jp502936f.
short: R. Hölscher, W.G. Schmidt, S. Sanna, The Journal of Physical Chemistry C
(2014) 10213–10220.
date_created: 2019-05-29T08:56:42Z
date_updated: 2025-12-05T09:57:24Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '429'
- _id: '27'
doi: 10.1021/jp502936f
funded_apc: '1'
language:
- iso: eng
page: 10213-10220
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
- _id: '53'
name: TRR 142
- _id: '55'
name: TRR 142 - Project Area B
- _id: '69'
name: TRR 142 - Subproject B4
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: The Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
- 1932-7455
publication_status: published
status: public
title: Modeling LiNbO3 Surfaces at Ambient Conditions
type: journal_article
user_id: '16199'
year: '2014'
...
---
_id: '13512'
author:
- first_name: Simone
full_name: Sanna, Simone
last_name: Sanna
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
- first_name: Peter
full_name: Thissen, Peter
last_name: Thissen
citation:
ama: 'Sanna S, Schmidt WG, Thissen P. Formation of Hydroxyl Groups at Calcium-Silicate-Hydrate
(C-S-H): Coexistence of Ca–OH and Si–OH on Wollastonite(001). The Journal of
Physical Chemistry C. 2014;118:8007-8013. doi:10.1021/jp500170t'
apa: 'Sanna, S., Schmidt, W. G., & Thissen, P. (2014). Formation of Hydroxyl
Groups at Calcium-Silicate-Hydrate (C-S-H): Coexistence of Ca–OH and Si–OH on
Wollastonite(001). The Journal of Physical Chemistry C, 118, 8007–8013.
https://doi.org/10.1021/jp500170t'
bibtex: '@article{Sanna_Schmidt_Thissen_2014, title={Formation of Hydroxyl Groups
at Calcium-Silicate-Hydrate (C-S-H): Coexistence of Ca–OH and Si–OH on Wollastonite(001)},
volume={118}, DOI={10.1021/jp500170t},
journal={The Journal of Physical Chemistry C}, author={Sanna, Simone and Schmidt,
Wolf Gero and Thissen, Peter}, year={2014}, pages={8007–8013} }'
chicago: 'Sanna, Simone, Wolf Gero Schmidt, and Peter Thissen. “Formation of Hydroxyl
Groups at Calcium-Silicate-Hydrate (C-S-H): Coexistence of Ca–OH and Si–OH on
Wollastonite(001).” The Journal of Physical Chemistry C 118 (2014): 8007–13.
https://doi.org/10.1021/jp500170t.'
ieee: 'S. Sanna, W. G. Schmidt, and P. Thissen, “Formation of Hydroxyl Groups at
Calcium-Silicate-Hydrate (C-S-H): Coexistence of Ca–OH and Si–OH on Wollastonite(001),”
The Journal of Physical Chemistry C, vol. 118, pp. 8007–8013, 2014, doi:
10.1021/jp500170t.'
mla: 'Sanna, Simone, et al. “Formation of Hydroxyl Groups at Calcium-Silicate-Hydrate
(C-S-H): Coexistence of Ca–OH and Si–OH on Wollastonite(001).” The Journal
of Physical Chemistry C, vol. 118, 2014, pp. 8007–13, doi:10.1021/jp500170t.'
short: S. Sanna, W.G. Schmidt, P. Thissen, The Journal of Physical Chemistry C 118
(2014) 8007–8013.
date_created: 2019-09-30T13:35:25Z
date_updated: 2025-12-05T10:33:35Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '2'
- _id: '35'
- _id: '230'
doi: 10.1021/jp500170t
intvolume: ' 118'
language:
- iso: eng
page: 8007-8013
publication: The Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
- 1932-7455
publication_status: published
status: public
title: 'Formation of Hydroxyl Groups at Calcium-Silicate-Hydrate (C-S-H): Coexistence
of Ca–OH and Si–OH on Wollastonite(001)'
type: journal_article
user_id: '16199'
volume: 118
year: '2014'
...
---
_id: '13508'
author:
- first_name: Q.
full_name: Guo, Q.
last_name: Guo
- first_name: A.
full_name: Paulheim, A.
last_name: Paulheim
- first_name: M.
full_name: Sokolowski, M.
last_name: Sokolowski
- first_name: Hazem
full_name: Aldahhak, Hazem
last_name: Aldahhak
- first_name: E.
full_name: Rauls, E.
last_name: Rauls
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
citation:
ama: Guo Q, Paulheim A, Sokolowski M, Aldahhak H, Rauls E, Schmidt WG. Adsorption
of PTCDA on Terraces and at Steps Sites of the KCl(100) Surface. The Journal
of Physical Chemistry C. 2014;118:29911-29918. doi:10.1021/jp509663s
apa: Guo, Q., Paulheim, A., Sokolowski, M., Aldahhak, H., Rauls, E., & Schmidt,
W. G. (2014). Adsorption of PTCDA on Terraces and at Steps Sites of the KCl(100)
Surface. The Journal of Physical Chemistry C, 118, 29911–29918.
https://doi.org/10.1021/jp509663s
bibtex: '@article{Guo_Paulheim_Sokolowski_Aldahhak_Rauls_Schmidt_2014, title={Adsorption
of PTCDA on Terraces and at Steps Sites of the KCl(100) Surface}, volume={118},
DOI={10.1021/jp509663s}, journal={The
Journal of Physical Chemistry C}, author={Guo, Q. and Paulheim, A. and Sokolowski,
M. and Aldahhak, Hazem and Rauls, E. and Schmidt, Wolf Gero}, year={2014}, pages={29911–29918}
}'
chicago: 'Guo, Q., A. Paulheim, M. Sokolowski, Hazem Aldahhak, E. Rauls, and Wolf
Gero Schmidt. “Adsorption of PTCDA on Terraces and at Steps Sites of the KCl(100)
Surface.” The Journal of Physical Chemistry C 118 (2014): 29911–18. https://doi.org/10.1021/jp509663s.'
ieee: 'Q. Guo, A. Paulheim, M. Sokolowski, H. Aldahhak, E. Rauls, and W. G. Schmidt,
“Adsorption of PTCDA on Terraces and at Steps Sites of the KCl(100) Surface,”
The Journal of Physical Chemistry C, vol. 118, pp. 29911–29918, 2014, doi:
10.1021/jp509663s.'
mla: Guo, Q., et al. “Adsorption of PTCDA on Terraces and at Steps Sites of the
KCl(100) Surface.” The Journal of Physical Chemistry C, vol. 118, 2014,
pp. 29911–18, doi:10.1021/jp509663s.
short: Q. Guo, A. Paulheim, M. Sokolowski, H. Aldahhak, E. Rauls, W.G. Schmidt,
The Journal of Physical Chemistry C 118 (2014) 29911–29918.
date_created: 2019-09-30T13:26:17Z
date_updated: 2025-12-05T10:35:20Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1021/jp509663s
intvolume: ' 118'
language:
- iso: eng
page: 29911-29918
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: The Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
- 1932-7455
publication_status: published
status: public
title: Adsorption of PTCDA on Terraces and at Steps Sites of the KCl(100) Surface
type: journal_article
user_id: '16199'
volume: 118
year: '2014'
...