---
_id: '52534'
author:
- first_name: Fabian
full_name: Bauch, Fabian
id: '61389'
last_name: Bauch
orcid: 0009-0008-6279-077X
- first_name: Chuan-Ding
full_name: Dong, Chuan-Ding
id: '67188'
last_name: Dong
- first_name: Stefan
full_name: Schumacher, Stefan
id: '27271'
last_name: Schumacher
orcid: 0000-0003-4042-4951
citation:
ama: Bauch F, Dong C-D, Schumacher S. Dynamics of Electron–Hole Coulomb Attractive
Energy and Dipole Moment of Hot Excitons in Donor–Acceptor Polymers. The Journal
of Physical Chemistry C. 2024;128(8):3525-3532. doi:10.1021/acs.jpcc.3c07513
apa: Bauch, F., Dong, C.-D., & Schumacher, S. (2024). Dynamics of Electron–Hole
Coulomb Attractive Energy and Dipole Moment of Hot Excitons in Donor–Acceptor
Polymers. The Journal of Physical Chemistry C, 128(8), 3525–3532.
https://doi.org/10.1021/acs.jpcc.3c07513
bibtex: '@article{Bauch_Dong_Schumacher_2024, title={Dynamics of Electron–Hole Coulomb
Attractive Energy and Dipole Moment of Hot Excitons in Donor–Acceptor Polymers},
volume={128}, DOI={10.1021/acs.jpcc.3c07513},
number={8}, journal={The Journal of Physical Chemistry C}, publisher={American
Chemical Society (ACS)}, author={Bauch, Fabian and Dong, Chuan-Ding and Schumacher,
Stefan}, year={2024}, pages={3525–3532} }'
chicago: 'Bauch, Fabian, Chuan-Ding Dong, and Stefan Schumacher. “Dynamics of Electron–Hole
Coulomb Attractive Energy and Dipole Moment of Hot Excitons in Donor–Acceptor
Polymers.” The Journal of Physical Chemistry C 128, no. 8 (2024): 3525–32.
https://doi.org/10.1021/acs.jpcc.3c07513.'
ieee: 'F. Bauch, C.-D. Dong, and S. Schumacher, “Dynamics of Electron–Hole Coulomb
Attractive Energy and Dipole Moment of Hot Excitons in Donor–Acceptor Polymers,”
The Journal of Physical Chemistry C, vol. 128, no. 8, pp. 3525–3532, 2024,
doi: 10.1021/acs.jpcc.3c07513.'
mla: Bauch, Fabian, et al. “Dynamics of Electron–Hole Coulomb Attractive Energy
and Dipole Moment of Hot Excitons in Donor–Acceptor Polymers.” The Journal
of Physical Chemistry C, vol. 128, no. 8, American Chemical Society (ACS),
2024, pp. 3525–32, doi:10.1021/acs.jpcc.3c07513.
short: F. Bauch, C.-D. Dong, S. Schumacher, The Journal of Physical Chemistry C
128 (2024) 3525–3532.
date_created: 2024-03-13T12:23:15Z
date_updated: 2024-03-14T09:27:57Z
department:
- _id: '35'
- _id: '15'
doi: 10.1021/acs.jpcc.3c07513
intvolume: ' 128'
issue: '8'
keyword:
- Surfaces
- Coatings and Films
- Physical and Theoretical Chemistry
- General Energy
- Electronic
- Optical and Magnetic Materials
language:
- iso: eng
page: 3525-3532
publication: The Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
- 1932-7455
publication_status: published
publisher: American Chemical Society (ACS)
status: public
title: Dynamics of Electron–Hole Coulomb Attractive Energy and Dipole Moment of Hot
Excitons in Donor–Acceptor Polymers
type: journal_article
user_id: '61389'
volume: 128
year: '2024'
...
---
_id: '49356'
author:
- first_name: Stephanie L.
full_name: Moffitt, Stephanie L.
last_name: Moffitt
- first_name: Chuntian
full_name: Cao, Chuntian
last_name: Cao
- first_name: Maikel F. A. M.
full_name: Van Hest, Maikel F. A. M.
last_name: Van Hest
- first_name: Laura T.
full_name: Schelhas, Laura T.
last_name: Schelhas
- first_name: Hans-Georg
full_name: Steinrück, Hans-Georg
id: '84268'
last_name: Steinrück
orcid: 0000-0001-6373-0877
- first_name: Michael F.
full_name: Toney, Michael F.
last_name: Toney
citation:
ama: Moffitt SL, Cao C, Van Hest MFAM, Schelhas LT, Steinrück H-G, Toney MF. Heterogeneous
Structural Evolution of In–Zn–O Thin Films during Annealing. The Journal of
Physical Chemistry C. 2023;127(47):23099–23108. doi:10.1021/acs.jpcc.3c06410
apa: Moffitt, S. L., Cao, C., Van Hest, M. F. A. M., Schelhas, L. T., Steinrück,
H.-G., & Toney, M. F. (2023). Heterogeneous Structural Evolution of In–Zn–O
Thin Films during Annealing. The Journal of Physical Chemistry C, 127(47),
23099–23108. https://doi.org/10.1021/acs.jpcc.3c06410
bibtex: '@article{Moffitt_Cao_Van Hest_Schelhas_Steinrück_Toney_2023, title={Heterogeneous
Structural Evolution of In–Zn–O Thin Films during Annealing}, volume={127}, DOI={10.1021/acs.jpcc.3c06410},
number={47}, journal={The Journal of Physical Chemistry C}, publisher={American
Chemical Society (ACS)}, author={Moffitt, Stephanie L. and Cao, Chuntian and Van
Hest, Maikel F. A. M. and Schelhas, Laura T. and Steinrück, Hans-Georg and Toney,
Michael F.}, year={2023}, pages={23099–23108} }'
chicago: 'Moffitt, Stephanie L., Chuntian Cao, Maikel F. A. M. Van Hest, Laura T.
Schelhas, Hans-Georg Steinrück, and Michael F. Toney. “Heterogeneous Structural
Evolution of In–Zn–O Thin Films during Annealing.” The Journal of Physical
Chemistry C 127, no. 47 (2023): 23099–23108. https://doi.org/10.1021/acs.jpcc.3c06410.'
ieee: 'S. L. Moffitt, C. Cao, M. F. A. M. Van Hest, L. T. Schelhas, H.-G. Steinrück,
and M. F. Toney, “Heterogeneous Structural Evolution of In–Zn–O Thin Films during
Annealing,” The Journal of Physical Chemistry C, vol. 127, no. 47, pp.
23099–23108, 2023, doi: 10.1021/acs.jpcc.3c06410.'
mla: Moffitt, Stephanie L., et al. “Heterogeneous Structural Evolution of In–Zn–O
Thin Films during Annealing.” The Journal of Physical Chemistry C, vol.
127, no. 47, American Chemical Society (ACS), 2023, pp. 23099–23108, doi:10.1021/acs.jpcc.3c06410.
short: S.L. Moffitt, C. Cao, M.F.A.M. Van Hest, L.T. Schelhas, H.-G. Steinrück,
M.F. Toney, The Journal of Physical Chemistry C 127 (2023) 23099–23108.
date_created: 2023-11-30T10:08:46Z
date_updated: 2023-11-30T10:09:26Z
department:
- _id: '633'
doi: 10.1021/acs.jpcc.3c06410
intvolume: ' 127'
issue: '47'
keyword:
- Surfaces
- Coatings and Films
- Physical and Theoretical Chemistry
- General Energy
- Electronic
- Optical and Magnetic Materials
language:
- iso: eng
page: 23099–23108
publication: The Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
- 1932-7455
publication_status: published
publisher: American Chemical Society (ACS)
status: public
title: Heterogeneous Structural Evolution of In–Zn–O Thin Films during Annealing
type: journal_article
user_id: '84268'
volume: 127
year: '2023'
...
---
_id: '33690'
author:
- first_name: Josefa
full_name: Ibaceta-Jaña, Josefa
last_name: Ibaceta-Jaña
- first_name: Manjusha
full_name: Chugh, Manjusha
id: '71511'
last_name: Chugh
- first_name: Alexander S.
full_name: Novikov, Alexander S.
last_name: Novikov
- first_name: Hossein
full_name: Mirhosseini, Hossein
id: '71051'
last_name: Mirhosseini
orcid: 0000-0001-6179-1545
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
- first_name: Bernd
full_name: Szyszka, Bernd
last_name: Szyszka
- first_name: Markus R.
full_name: Wagner, Markus R.
last_name: Wagner
- first_name: Ruslan
full_name: Muydinov, Ruslan
last_name: Muydinov
citation:
ama: Ibaceta-Jaña J, Chugh M, Novikov AS, et al. Do Lead Halide Hybrid Perovskites
Have Hydrogen Bonds? The Journal of Physical Chemistry C. 2022;126(38):16215-16226.
doi:10.1021/acs.jpcc.2c02984
apa: Ibaceta-Jaña, J., Chugh, M., Novikov, A. S., Mirhosseini, H., Kühne, T., Szyszka,
B., Wagner, M. R., & Muydinov, R. (2022). Do Lead Halide Hybrid Perovskites
Have Hydrogen Bonds? The Journal of Physical Chemistry C, 126(38),
16215–16226. https://doi.org/10.1021/acs.jpcc.2c02984
bibtex: '@article{Ibaceta-Jaña_Chugh_Novikov_Mirhosseini_Kühne_Szyszka_Wagner_Muydinov_2022,
title={Do Lead Halide Hybrid Perovskites Have Hydrogen Bonds?}, volume={126},
DOI={10.1021/acs.jpcc.2c02984},
number={38}, journal={The Journal of Physical Chemistry C}, publisher={American
Chemical Society (ACS)}, author={Ibaceta-Jaña, Josefa and Chugh, Manjusha and
Novikov, Alexander S. and Mirhosseini, Hossein and Kühne, Thomas and Szyszka,
Bernd and Wagner, Markus R. and Muydinov, Ruslan}, year={2022}, pages={16215–16226}
}'
chicago: 'Ibaceta-Jaña, Josefa, Manjusha Chugh, Alexander S. Novikov, Hossein Mirhosseini,
Thomas Kühne, Bernd Szyszka, Markus R. Wagner, and Ruslan Muydinov. “Do Lead Halide
Hybrid Perovskites Have Hydrogen Bonds?” The Journal of Physical Chemistry
C 126, no. 38 (2022): 16215–26. https://doi.org/10.1021/acs.jpcc.2c02984.'
ieee: 'J. Ibaceta-Jaña et al., “Do Lead Halide Hybrid Perovskites Have Hydrogen
Bonds?,” The Journal of Physical Chemistry C, vol. 126, no. 38, pp. 16215–16226,
2022, doi: 10.1021/acs.jpcc.2c02984.'
mla: Ibaceta-Jaña, Josefa, et al. “Do Lead Halide Hybrid Perovskites Have Hydrogen
Bonds?” The Journal of Physical Chemistry C, vol. 126, no. 38, American
Chemical Society (ACS), 2022, pp. 16215–26, doi:10.1021/acs.jpcc.2c02984.
short: J. Ibaceta-Jaña, M. Chugh, A.S. Novikov, H. Mirhosseini, T. Kühne, B. Szyszka,
M.R. Wagner, R. Muydinov, The Journal of Physical Chemistry C 126 (2022) 16215–16226.
date_created: 2022-10-11T08:21:47Z
date_updated: 2022-10-11T08:22:03Z
department:
- _id: '613'
doi: 10.1021/acs.jpcc.2c02984
intvolume: ' 126'
issue: '38'
keyword:
- Surfaces
- Coatings and Films
- Physical and Theoretical Chemistry
- General Energy
- Electronic
- Optical and Magnetic Materials
language:
- iso: eng
page: 16215-16226
publication: The Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
- 1932-7455
publication_status: published
publisher: American Chemical Society (ACS)
status: public
title: Do Lead Halide Hybrid Perovskites Have Hydrogen Bonds?
type: journal_article
user_id: '71051'
volume: 126
year: '2022'
...
---
_id: '33651'
author:
- first_name: Sudhir K.
full_name: Sahoo, Sudhir K.
last_name: Sahoo
- first_name: Ivo F.
full_name: Teixeira, Ivo F.
last_name: Teixeira
- first_name: Aakash
full_name: Naik, Aakash
last_name: Naik
- first_name: Julian Joachim
full_name: Heske, Julian Joachim
id: '53238'
last_name: Heske
- first_name: Daniel
full_name: Cruz, Daniel
last_name: Cruz
- first_name: Markus
full_name: Antonietti, Markus
last_name: Antonietti
- first_name: Aleksandr
full_name: Savateev, Aleksandr
last_name: Savateev
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
citation:
ama: Sahoo SK, Teixeira IF, Naik A, et al. Photocatalytic Water Splitting Reaction
Catalyzed by Ion-Exchanged Salts of Potassium Poly(heptazine imide) 2D Materials.
The Journal of Physical Chemistry C. 2021;125(25):13749-13758. doi:10.1021/acs.jpcc.1c03947
apa: Sahoo, S. K., Teixeira, I. F., Naik, A., Heske, J. J., Cruz, D., Antonietti,
M., Savateev, A., & Kühne, T. (2021). Photocatalytic Water Splitting Reaction
Catalyzed by Ion-Exchanged Salts of Potassium Poly(heptazine imide) 2D Materials.
The Journal of Physical Chemistry C, 125(25), 13749–13758. https://doi.org/10.1021/acs.jpcc.1c03947
bibtex: '@article{Sahoo_Teixeira_Naik_Heske_Cruz_Antonietti_Savateev_Kühne_2021,
title={Photocatalytic Water Splitting Reaction Catalyzed by Ion-Exchanged Salts
of Potassium Poly(heptazine imide) 2D Materials}, volume={125}, DOI={10.1021/acs.jpcc.1c03947},
number={25}, journal={The Journal of Physical Chemistry C}, publisher={American
Chemical Society (ACS)}, author={Sahoo, Sudhir K. and Teixeira, Ivo F. and Naik,
Aakash and Heske, Julian Joachim and Cruz, Daniel and Antonietti, Markus and Savateev,
Aleksandr and Kühne, Thomas}, year={2021}, pages={13749–13758} }'
chicago: 'Sahoo, Sudhir K., Ivo F. Teixeira, Aakash Naik, Julian Joachim Heske,
Daniel Cruz, Markus Antonietti, Aleksandr Savateev, and Thomas Kühne. “Photocatalytic
Water Splitting Reaction Catalyzed by Ion-Exchanged Salts of Potassium Poly(Heptazine
Imide) 2D Materials.” The Journal of Physical Chemistry C 125, no. 25 (2021):
13749–58. https://doi.org/10.1021/acs.jpcc.1c03947.'
ieee: 'S. K. Sahoo et al., “Photocatalytic Water Splitting Reaction Catalyzed
by Ion-Exchanged Salts of Potassium Poly(heptazine imide) 2D Materials,” The
Journal of Physical Chemistry C, vol. 125, no. 25, pp. 13749–13758, 2021,
doi: 10.1021/acs.jpcc.1c03947.'
mla: Sahoo, Sudhir K., et al. “Photocatalytic Water Splitting Reaction Catalyzed
by Ion-Exchanged Salts of Potassium Poly(Heptazine Imide) 2D Materials.” The
Journal of Physical Chemistry C, vol. 125, no. 25, American Chemical Society
(ACS), 2021, pp. 13749–58, doi:10.1021/acs.jpcc.1c03947.
short: S.K. Sahoo, I.F. Teixeira, A. Naik, J.J. Heske, D. Cruz, M. Antonietti, A.
Savateev, T. Kühne, The Journal of Physical Chemistry C 125 (2021) 13749–13758.
date_created: 2022-10-10T08:17:26Z
date_updated: 2022-10-10T08:18:22Z
department:
- _id: '613'
doi: 10.1021/acs.jpcc.1c03947
intvolume: ' 125'
issue: '25'
keyword:
- Surfaces
- Coatings and Films
- Physical and Theoretical Chemistry
- General Energy
- Electronic
- Optical and Magnetic Materials
language:
- iso: eng
page: 13749-13758
publication: The Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
- 1932-7455
publication_status: published
publisher: American Chemical Society (ACS)
status: public
title: Photocatalytic Water Splitting Reaction Catalyzed by Ion-Exchanged Salts of
Potassium Poly(heptazine imide) 2D Materials
type: journal_article
user_id: '71051'
volume: 125
year: '2021'
...
---
_id: '40433'
author:
- first_name: Chuan-Ding
full_name: Dong, Chuan-Ding
id: '67188'
last_name: Dong
- first_name: Stefan
full_name: Schumacher, Stefan
id: '27271'
last_name: Schumacher
orcid: 0000-0003-4042-4951
citation:
ama: Dong C-D, Schumacher S. Microscopic Insights into Charge Formation and Energetics
in n-Doped Organic Semiconductors. The Journal of Physical Chemistry C.
2021;125(40):21824-21830. doi:10.1021/acs.jpcc.1c05666
apa: Dong, C.-D., & Schumacher, S. (2021). Microscopic Insights into Charge
Formation and Energetics in n-Doped Organic Semiconductors. The Journal of
Physical Chemistry C, 125(40), 21824–21830. https://doi.org/10.1021/acs.jpcc.1c05666
bibtex: '@article{Dong_Schumacher_2021, title={Microscopic Insights into Charge
Formation and Energetics in n-Doped Organic Semiconductors}, volume={125}, DOI={10.1021/acs.jpcc.1c05666},
number={40}, journal={The Journal of Physical Chemistry C}, publisher={American
Chemical Society (ACS)}, author={Dong, Chuan-Ding and Schumacher, Stefan}, year={2021},
pages={21824–21830} }'
chicago: 'Dong, Chuan-Ding, and Stefan Schumacher. “Microscopic Insights into Charge
Formation and Energetics in N-Doped Organic Semiconductors.” The Journal of
Physical Chemistry C 125, no. 40 (2021): 21824–30. https://doi.org/10.1021/acs.jpcc.1c05666.'
ieee: 'C.-D. Dong and S. Schumacher, “Microscopic Insights into Charge Formation
and Energetics in n-Doped Organic Semiconductors,” The Journal of Physical
Chemistry C, vol. 125, no. 40, pp. 21824–21830, 2021, doi: 10.1021/acs.jpcc.1c05666.'
mla: Dong, Chuan-Ding, and Stefan Schumacher. “Microscopic Insights into Charge
Formation and Energetics in N-Doped Organic Semiconductors.” The Journal of
Physical Chemistry C, vol. 125, no. 40, American Chemical Society (ACS), 2021,
pp. 21824–30, doi:10.1021/acs.jpcc.1c05666.
short: C.-D. Dong, S. Schumacher, The Journal of Physical Chemistry C 125 (2021)
21824–21830.
date_created: 2023-01-26T15:49:13Z
date_updated: 2023-01-26T15:51:53Z
department:
- _id: '15'
- _id: '170'
- _id: '297'
- _id: '230'
doi: 10.1021/acs.jpcc.1c05666
intvolume: ' 125'
issue: '40'
keyword:
- Surfaces
- Coatings and Films
- Physical and Theoretical Chemistry
- General Energy
- Electronic
- Optical and Magnetic Materials
language:
- iso: eng
page: 21824-21830
project:
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: The Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
- 1932-7455
publication_status: published
publisher: American Chemical Society (ACS)
status: public
title: Microscopic Insights into Charge Formation and Energetics in n-Doped Organic
Semiconductors
type: journal_article
user_id: '16199'
volume: 125
year: '2021'
...
---
_id: '41002'
abstract:
- lang: eng
text: Homogeneous catalysts immobilized on metal oxides often have different catalytic
properties than in homogeneous solution. This can be either activating or deactivating
and is often attributed to interactions of catalyst species with the metal oxide
surface. However, few studies have ever demonstrated the effect that close associations
of active sites with surfaces have on the catalytic activity. In this paper, we
immobilize H2Ru(PPh3)2(Ph2P)2N–C3H6–Si(OEt)3 (3) on SiO2, Al2O3, and ZnO and interrogate
the relationship to the surface using IR, MAS NMR, 1H–31P HETCOR, and XAS spectroscopies.
We found that while there are close contacts between the P atoms of the complex
and all three metal oxide surfaces, the Ru–H bond only reacts with oxygen bridges
on SiO2 and Al2O3, forming new Ru–O bonds. In contrast, complex 3 stays intact
on ZnO. Comparison of the catalytic activities of our immobilized species for
CO2 hydrogenation to ethyl formate showed that Lewis acidic metal oxides activate,
rather than deactivate, complex 3 in the order Al2O3 > ZnO > SiO2. The Lewis acidic
sites on the metal oxide surfaces most likely increase the productivity by increasing
the rate of esterification of formate intermediates.
article_type: original
author:
- first_name: Hoang-Huy
full_name: Nguyen, Hoang-Huy
last_name: Nguyen
- first_name: Zheng
full_name: Li, Zheng
last_name: Li
- first_name: Toni
full_name: Enenkel, Toni
last_name: Enenkel
- first_name: Joachim
full_name: Hildebrand, Joachim
last_name: Hildebrand
- first_name: Matthias
full_name: Bauer, Matthias
id: '47241'
last_name: Bauer
orcid: 0000-0002-9294-6076
- first_name: Michael
full_name: Dyballa, Michael
last_name: Dyballa
- first_name: Deven P.
full_name: Estes, Deven P.
last_name: Estes
citation:
ama: 'Nguyen H-H, Li Z, Enenkel T, et al. Probing the Interactions of Immobilized
Ruthenium Dihydride Complexes with Metal Oxide Surfaces by MAS NMR: Effects on
CO2 Hydrogenation. The Journal of Physical Chemistry C. 2021;125(27):14627-14635.
doi:10.1021/acs.jpcc.1c02074'
apa: 'Nguyen, H.-H., Li, Z., Enenkel, T., Hildebrand, J., Bauer, M., Dyballa, M.,
& Estes, D. P. (2021). Probing the Interactions of Immobilized Ruthenium Dihydride
Complexes with Metal Oxide Surfaces by MAS NMR: Effects on CO2 Hydrogenation.
The Journal of Physical Chemistry C, 125(27), 14627–14635. https://doi.org/10.1021/acs.jpcc.1c02074'
bibtex: '@article{Nguyen_Li_Enenkel_Hildebrand_Bauer_Dyballa_Estes_2021, title={Probing
the Interactions of Immobilized Ruthenium Dihydride Complexes with Metal Oxide
Surfaces by MAS NMR: Effects on CO2 Hydrogenation}, volume={125}, DOI={10.1021/acs.jpcc.1c02074},
number={27}, journal={The Journal of Physical Chemistry C}, publisher={American
Chemical Society (ACS)}, author={Nguyen, Hoang-Huy and Li, Zheng and Enenkel,
Toni and Hildebrand, Joachim and Bauer, Matthias and Dyballa, Michael and Estes,
Deven P.}, year={2021}, pages={14627–14635} }'
chicago: 'Nguyen, Hoang-Huy, Zheng Li, Toni Enenkel, Joachim Hildebrand, Matthias
Bauer, Michael Dyballa, and Deven P. Estes. “Probing the Interactions of Immobilized
Ruthenium Dihydride Complexes with Metal Oxide Surfaces by MAS NMR: Effects on
CO2 Hydrogenation.” The Journal of Physical Chemistry C 125,
no. 27 (2021): 14627–35. https://doi.org/10.1021/acs.jpcc.1c02074.'
ieee: 'H.-H. Nguyen et al., “Probing the Interactions of Immobilized Ruthenium
Dihydride Complexes with Metal Oxide Surfaces by MAS NMR: Effects on CO2
Hydrogenation,” The Journal of Physical Chemistry C, vol. 125, no. 27,
pp. 14627–14635, 2021, doi: 10.1021/acs.jpcc.1c02074.'
mla: 'Nguyen, Hoang-Huy, et al. “Probing the Interactions of Immobilized Ruthenium
Dihydride Complexes with Metal Oxide Surfaces by MAS NMR: Effects on CO2
Hydrogenation.” The Journal of Physical Chemistry C, vol. 125, no. 27,
American Chemical Society (ACS), 2021, pp. 14627–35, doi:10.1021/acs.jpcc.1c02074.'
short: H.-H. Nguyen, Z. Li, T. Enenkel, J. Hildebrand, M. Bauer, M. Dyballa, D.P.
Estes, The Journal of Physical Chemistry C 125 (2021) 14627–14635.
date_created: 2023-01-30T16:49:18Z
date_updated: 2023-01-31T08:06:00Z
department:
- _id: '35'
- _id: '306'
doi: 10.1021/acs.jpcc.1c02074
intvolume: ' 125'
issue: '27'
keyword:
- Surfaces
- Coatings and Films
- Physical and Theoretical Chemistry
- General Energy
- Electronic
- Optical and Magnetic Materials
language:
- iso: eng
page: 14627-14635
publication: The Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
- 1932-7455
publication_status: published
publisher: American Chemical Society (ACS)
status: public
title: 'Probing the Interactions of Immobilized Ruthenium Dihydride Complexes with
Metal Oxide Surfaces by MAS NMR: Effects on CO2 Hydrogenation'
type: journal_article
user_id: '48467'
volume: 125
year: '2021'
...
---
_id: '29748'
author:
- first_name: Diana
full_name: Slawig, Diana
last_name: Slawig
- first_name: Markus
full_name: Gruschwitz, Markus
last_name: Gruschwitz
- first_name: Uwe
full_name: Gerstmann, Uwe
id: '171'
last_name: Gerstmann
orcid: 0000-0002-4476-223X
- first_name: Eva
full_name: Rauls, Eva
last_name: Rauls
- first_name: Christoph
full_name: Tegenkamp, Christoph
last_name: Tegenkamp
citation:
ama: Slawig D, Gruschwitz M, Gerstmann U, Rauls E, Tegenkamp C. Adsorption and Reaction
of PbPc on Hydrogenated Epitaxial Graphene. The Journal of Physical Chemistry
C. 2021;125(36):20087-20093. doi:10.1021/acs.jpcc.1c06320
apa: Slawig, D., Gruschwitz, M., Gerstmann, U., Rauls, E., & Tegenkamp, C. (2021).
Adsorption and Reaction of PbPc on Hydrogenated Epitaxial Graphene. The Journal
of Physical Chemistry C, 125(36), 20087–20093. https://doi.org/10.1021/acs.jpcc.1c06320
bibtex: '@article{Slawig_Gruschwitz_Gerstmann_Rauls_Tegenkamp_2021, title={Adsorption
and Reaction of PbPc on Hydrogenated Epitaxial Graphene}, volume={125}, DOI={10.1021/acs.jpcc.1c06320},
number={36}, journal={The Journal of Physical Chemistry C}, publisher={American
Chemical Society (ACS)}, author={Slawig, Diana and Gruschwitz, Markus and Gerstmann,
Uwe and Rauls, Eva and Tegenkamp, Christoph}, year={2021}, pages={20087–20093}
}'
chicago: 'Slawig, Diana, Markus Gruschwitz, Uwe Gerstmann, Eva Rauls, and Christoph
Tegenkamp. “Adsorption and Reaction of PbPc on Hydrogenated Epitaxial Graphene.”
The Journal of Physical Chemistry C 125, no. 36 (2021): 20087–93. https://doi.org/10.1021/acs.jpcc.1c06320.'
ieee: 'D. Slawig, M. Gruschwitz, U. Gerstmann, E. Rauls, and C. Tegenkamp, “Adsorption
and Reaction of PbPc on Hydrogenated Epitaxial Graphene,” The Journal of Physical
Chemistry C, vol. 125, no. 36, pp. 20087–20093, 2021, doi: 10.1021/acs.jpcc.1c06320.'
mla: Slawig, Diana, et al. “Adsorption and Reaction of PbPc on Hydrogenated Epitaxial
Graphene.” The Journal of Physical Chemistry C, vol. 125, no. 36, American
Chemical Society (ACS), 2021, pp. 20087–93, doi:10.1021/acs.jpcc.1c06320.
short: D. Slawig, M. Gruschwitz, U. Gerstmann, E. Rauls, C. Tegenkamp, The Journal
of Physical Chemistry C 125 (2021) 20087–20093.
date_created: 2022-02-03T15:37:32Z
date_updated: 2023-04-20T16:04:22Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '790'
doi: 10.1021/acs.jpcc.1c06320
intvolume: ' 125'
issue: '36'
keyword:
- Surfaces
- Coatings and Films
- Physical and Theoretical Chemistry
- General Energy
- Electronic
- Optical and Magnetic Materials
language:
- iso: eng
page: 20087-20093
project:
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
- _id: '53'
name: 'TRR 142: TRR 142'
- _id: '55'
name: 'TRR 142 - B: TRR 142 - Project Area B'
- _id: '69'
name: 'TRR 142 - B4: TRR 142 - Subproject B4'
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: The Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
- 1932-7455
publication_status: published
publisher: American Chemical Society (ACS)
status: public
title: Adsorption and Reaction of PbPc on Hydrogenated Epitaxial Graphene
type: journal_article
user_id: '16199'
volume: 125
year: '2021'
...
---
_id: '20496'
author:
- first_name: Martin
full_name: Streiter, Martin
last_name: Streiter
- first_name: Tillmann G.
full_name: Fischer, Tillmann G.
last_name: Fischer
- first_name: Christian
full_name: Wiebeler, Christian
last_name: Wiebeler
- first_name: Sebastian
full_name: Reichert, Sebastian
last_name: Reichert
- first_name: Jörn
full_name: Langenickel, Jörn
last_name: Langenickel
- first_name: Kirsten
full_name: Zeitler, Kirsten
last_name: Zeitler
- first_name: Carsten
full_name: Deibel, Carsten
last_name: Deibel
citation:
ama: Streiter M, Fischer TG, Wiebeler C, et al. Impact of Chlorine on the Internal
Transition Rates and Excited States of the Thermally Delayed Activated Fluorescence
Molecule 3CzClIPN. The Journal of Physical Chemistry C. 2020:15007-15014.
doi:10.1021/acs.jpcc.0c03341
apa: Streiter, M., Fischer, T. G., Wiebeler, C., Reichert, S., Langenickel, J.,
Zeitler, K., & Deibel, C. (2020). Impact of Chlorine on the Internal Transition
Rates and Excited States of the Thermally Delayed Activated Fluorescence Molecule
3CzClIPN. The Journal of Physical Chemistry C, 15007–15014. https://doi.org/10.1021/acs.jpcc.0c03341
bibtex: '@article{Streiter_Fischer_Wiebeler_Reichert_Langenickel_Zeitler_Deibel_2020,
title={Impact of Chlorine on the Internal Transition Rates and Excited States
of the Thermally Delayed Activated Fluorescence Molecule 3CzClIPN}, DOI={10.1021/acs.jpcc.0c03341},
journal={The Journal of Physical Chemistry C}, author={Streiter, Martin and Fischer,
Tillmann G. and Wiebeler, Christian and Reichert, Sebastian and Langenickel, Jörn
and Zeitler, Kirsten and Deibel, Carsten}, year={2020}, pages={15007–15014} }'
chicago: Streiter, Martin, Tillmann G. Fischer, Christian Wiebeler, Sebastian Reichert,
Jörn Langenickel, Kirsten Zeitler, and Carsten Deibel. “Impact of Chlorine on
the Internal Transition Rates and Excited States of the Thermally Delayed Activated
Fluorescence Molecule 3CzClIPN.” The Journal of Physical Chemistry C, 2020,
15007–14. https://doi.org/10.1021/acs.jpcc.0c03341.
ieee: M. Streiter et al., “Impact of Chlorine on the Internal Transition
Rates and Excited States of the Thermally Delayed Activated Fluorescence Molecule
3CzClIPN,” The Journal of Physical Chemistry C, pp. 15007–15014, 2020.
mla: Streiter, Martin, et al. “Impact of Chlorine on the Internal Transition Rates
and Excited States of the Thermally Delayed Activated Fluorescence Molecule 3CzClIPN.”
The Journal of Physical Chemistry C, 2020, pp. 15007–14, doi:10.1021/acs.jpcc.0c03341.
short: M. Streiter, T.G. Fischer, C. Wiebeler, S. Reichert, J. Langenickel, K. Zeitler,
C. Deibel, The Journal of Physical Chemistry C (2020) 15007–15014.
date_created: 2020-11-25T07:19:15Z
date_updated: 2022-01-06T06:54:27Z
doi: 10.1021/acs.jpcc.0c03341
keyword:
- pc2-ressources
language:
- iso: eng
page: 15007-15014
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: The Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
- 1932-7455
publication_status: published
status: public
title: Impact of Chlorine on the Internal Transition Rates and Excited States of the
Thermally Delayed Activated Fluorescence Molecule 3CzClIPN
type: journal_article
user_id: '61189'
year: '2020'
...
---
_id: '17066'
author:
- first_name: Hazem
full_name: Aldahhak, Hazem
last_name: Aldahhak
- first_name: Paulina
full_name: Powroźnik, Paulina
last_name: Powroźnik
- first_name: Piotr
full_name: Pander, Piotr
last_name: Pander
- first_name: Wiesław
full_name: Jakubik, Wiesław
last_name: Jakubik
- first_name: Fernando B.
full_name: Dias, Fernando B.
last_name: Dias
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
- first_name: Uwe
full_name: Gerstmann, Uwe
id: '171'
last_name: Gerstmann
orcid: 0000-0002-4476-223X
- first_name: Maciej
full_name: Krzywiecki, Maciej
last_name: Krzywiecki
citation:
ama: 'Aldahhak H, Powroźnik P, Pander P, et al. Toward Efficient Toxic-Gas Detectors:
Exploring Molecular Interactions of Sarin and Dimethyl Methylphosphonate with
Metal-Centered Phthalocyanine Structures. The Journal of Physical Chemistry
C. 2020;(124):6090-6102. doi:10.1021/acs.jpcc.9b11116'
apa: 'Aldahhak, H., Powroźnik, P., Pander, P., Jakubik, W., Dias, F. B., Schmidt,
W. G., Gerstmann, U., & Krzywiecki, M. (2020). Toward Efficient Toxic-Gas
Detectors: Exploring Molecular Interactions of Sarin and Dimethyl Methylphosphonate
with Metal-Centered Phthalocyanine Structures. The Journal of Physical Chemistry
C, 124, 6090–6102. https://doi.org/10.1021/acs.jpcc.9b11116'
bibtex: '@article{Aldahhak_Powroźnik_Pander_Jakubik_Dias_Schmidt_Gerstmann_Krzywiecki_2020,
title={Toward Efficient Toxic-Gas Detectors: Exploring Molecular Interactions
of Sarin and Dimethyl Methylphosphonate with Metal-Centered Phthalocyanine Structures},
DOI={10.1021/acs.jpcc.9b11116},
number={124}, journal={The Journal of Physical Chemistry C}, author={Aldahhak,
Hazem and Powroźnik, Paulina and Pander, Piotr and Jakubik, Wiesław and Dias,
Fernando B. and Schmidt, Wolf Gero and Gerstmann, Uwe and Krzywiecki, Maciej},
year={2020}, pages={6090–6102} }'
chicago: 'Aldahhak, Hazem, Paulina Powroźnik, Piotr Pander, Wiesław Jakubik, Fernando
B. Dias, Wolf Gero Schmidt, Uwe Gerstmann, and Maciej Krzywiecki. “Toward Efficient
Toxic-Gas Detectors: Exploring Molecular Interactions of Sarin and Dimethyl Methylphosphonate
with Metal-Centered Phthalocyanine Structures.” The Journal of Physical Chemistry
C, no. 124 (2020): 6090–6102. https://doi.org/10.1021/acs.jpcc.9b11116.'
ieee: 'H. Aldahhak et al., “Toward Efficient Toxic-Gas Detectors: Exploring
Molecular Interactions of Sarin and Dimethyl Methylphosphonate with Metal-Centered
Phthalocyanine Structures,” The Journal of Physical Chemistry C, no. 124,
pp. 6090–6102, 2020, doi: 10.1021/acs.jpcc.9b11116.'
mla: 'Aldahhak, Hazem, et al. “Toward Efficient Toxic-Gas Detectors: Exploring Molecular
Interactions of Sarin and Dimethyl Methylphosphonate with Metal-Centered Phthalocyanine
Structures.” The Journal of Physical Chemistry C, no. 124, 2020, pp. 6090–102,
doi:10.1021/acs.jpcc.9b11116.'
short: H. Aldahhak, P. Powroźnik, P. Pander, W. Jakubik, F.B. Dias, W.G. Schmidt,
U. Gerstmann, M. Krzywiecki, The Journal of Physical Chemistry C (2020) 6090–6102.
date_created: 2020-05-29T09:51:10Z
date_updated: 2023-04-20T16:07:15Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '230'
- _id: '35'
- _id: '790'
doi: 10.1021/acs.jpcc.9b11116
issue: '124'
language:
- iso: eng
page: 6090-6102
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: The Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
- 1932-7455
publication_status: published
status: public
title: 'Toward Efficient Toxic-Gas Detectors: Exploring Molecular Interactions of
Sarin and Dimethyl Methylphosphonate with Metal-Centered Phthalocyanine Structures'
type: journal_article
user_id: '16199'
year: '2020'
...
---
_id: '19504'
author:
- first_name: Chuan-Ding
full_name: Dong, Chuan-Ding
last_name: Dong
- first_name: Stefan
full_name: Schumacher, Stefan
last_name: Schumacher
citation:
ama: 'Dong C-D, Schumacher S. Molecular Doping of PCPDT–BT Copolymers: Comparison
of Molecular Complexes with and without Integer Charge Transfer. The Journal
of Physical Chemistry C. 2019:30863-30870. doi:10.1021/acs.jpcc.9b09970'
apa: 'Dong, C.-D., & Schumacher, S. (2019). Molecular Doping of PCPDT–BT Copolymers:
Comparison of Molecular Complexes with and without Integer Charge Transfer. The
Journal of Physical Chemistry C, 30863–30870. https://doi.org/10.1021/acs.jpcc.9b09970'
bibtex: '@article{Dong_Schumacher_2019, title={Molecular Doping of PCPDT–BT Copolymers:
Comparison of Molecular Complexes with and without Integer Charge Transfer}, DOI={10.1021/acs.jpcc.9b09970},
journal={The Journal of Physical Chemistry C}, author={Dong, Chuan-Ding and Schumacher,
Stefan}, year={2019}, pages={30863–30870} }'
chicago: 'Dong, Chuan-Ding, and Stefan Schumacher. “Molecular Doping of PCPDT–BT
Copolymers: Comparison of Molecular Complexes with and without Integer Charge
Transfer.” The Journal of Physical Chemistry C, 2019, 30863–70. https://doi.org/10.1021/acs.jpcc.9b09970.'
ieee: 'C.-D. Dong and S. Schumacher, “Molecular Doping of PCPDT–BT Copolymers: Comparison
of Molecular Complexes with and without Integer Charge Transfer,” The Journal
of Physical Chemistry C, pp. 30863–30870, 2019.'
mla: 'Dong, Chuan-Ding, and Stefan Schumacher. “Molecular Doping of PCPDT–BT Copolymers:
Comparison of Molecular Complexes with and without Integer Charge Transfer.” The
Journal of Physical Chemistry C, 2019, pp. 30863–70, doi:10.1021/acs.jpcc.9b09970.'
short: C.-D. Dong, S. Schumacher, The Journal of Physical Chemistry C (2019) 30863–30870.
date_created: 2020-09-17T07:43:24Z
date_updated: 2022-01-06T06:54:06Z
doi: 10.1021/acs.jpcc.9b09970
keyword:
- pc2-ressources
language:
- iso: eng
page: 30863-30870
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: The Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
- 1932-7455
publication_status: published
status: public
title: 'Molecular Doping of PCPDT–BT Copolymers: Comparison of Molecular Complexes
with and without Integer Charge Transfer'
type: journal_article
user_id: '61189'
year: '2019'
...
---
_id: '16960'
author:
- first_name: Max
full_name: Mennicken, Max
last_name: Mennicken
- first_name: Sophia Katharina
full_name: Peter, Sophia Katharina
last_name: Peter
- first_name: Corinna
full_name: Kaulen, Corinna
last_name: Kaulen
- first_name: Ulrich
full_name: Simon, Ulrich
last_name: Simon
- first_name: Silvia
full_name: Karthäuser, Silvia
last_name: Karthäuser
citation:
ama: Mennicken M, Peter SK, Kaulen C, Simon U, Karthäuser S. Controlling the Electronic
Contact at the Terpyridine/Metal Interface. The Journal of Physical Chemistry
C. 2019:21367-21375. doi:10.1021/acs.jpcc.9b05865
apa: Mennicken, M., Peter, S. K., Kaulen, C., Simon, U., & Karthäuser, S. (2019).
Controlling the Electronic Contact at the Terpyridine/Metal Interface. The
Journal of Physical Chemistry C, 21367–21375. https://doi.org/10.1021/acs.jpcc.9b05865
bibtex: '@article{Mennicken_Peter_Kaulen_Simon_Karthäuser_2019, title={Controlling
the Electronic Contact at the Terpyridine/Metal Interface}, DOI={10.1021/acs.jpcc.9b05865},
journal={The Journal of Physical Chemistry C}, author={Mennicken, Max and Peter,
Sophia Katharina and Kaulen, Corinna and Simon, Ulrich and Karthäuser, Silvia},
year={2019}, pages={21367–21375} }'
chicago: Mennicken, Max, Sophia Katharina Peter, Corinna Kaulen, Ulrich Simon, and
Silvia Karthäuser. “Controlling the Electronic Contact at the Terpyridine/Metal
Interface.” The Journal of Physical Chemistry C, 2019, 21367–75. https://doi.org/10.1021/acs.jpcc.9b05865.
ieee: M. Mennicken, S. K. Peter, C. Kaulen, U. Simon, and S. Karthäuser, “Controlling
the Electronic Contact at the Terpyridine/Metal Interface,” The Journal of
Physical Chemistry C, pp. 21367–21375, 2019.
mla: Mennicken, Max, et al. “Controlling the Electronic Contact at the Terpyridine/Metal
Interface.” The Journal of Physical Chemistry C, 2019, pp. 21367–75, doi:10.1021/acs.jpcc.9b05865.
short: M. Mennicken, S.K. Peter, C. Kaulen, U. Simon, S. Karthäuser, The Journal
of Physical Chemistry C (2019) 21367–21375.
date_created: 2020-05-15T09:38:49Z
date_updated: 2022-01-06T06:53:00Z
doi: 10.1021/acs.jpcc.9b05865
keyword:
- pc2-ressources
language:
- iso: eng
page: 21367-21375
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: The Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
- 1932-7455
publication_status: published
status: public
title: Controlling the Electronic Contact at the Terpyridine/Metal Interface
type: journal_article
user_id: '61189'
year: '2019'
...
---
_id: '15740'
author:
- first_name: Maxim
full_name: Guc, Maxim
last_name: Guc
- first_name: Tim
full_name: Kodalle, Tim
last_name: Kodalle
- first_name: Ramya
full_name: Kormath Madam Raghupathy, Ramya
id: '71692'
last_name: Kormath Madam Raghupathy
orcid: https://orcid.org/0000-0003-4667-9744
- first_name: Hossein
full_name: Mirhosseini, Hossein
last_name: Mirhosseini
- first_name: Thomas D.
full_name: Kühne, Thomas D.
last_name: Kühne
- first_name: Ignacio
full_name: Becerril-Romero, Ignacio
last_name: Becerril-Romero
- first_name: Alejandro
full_name: Pérez-Rodríguez, Alejandro
last_name: Pérez-Rodríguez
- first_name: Christian A.
full_name: Kaufmann, Christian A.
last_name: Kaufmann
- first_name: Victor
full_name: Izquierdo-Roca, Victor
last_name: Izquierdo-Roca
citation:
ama: 'Guc M, Kodalle T, Kormath Madam Raghupathy R, et al. Vibrational Properties
of RbInSe2: Raman Scattering Spectroscopy and First-Principle Calculations. The
Journal of Physical Chemistry C. 2019;124:1285-1291. doi:10.1021/acs.jpcc.9b08781'
apa: 'Guc, M., Kodalle, T., Kormath Madam Raghupathy, R., Mirhosseini, H., Kühne,
T. D., Becerril-Romero, I., … Izquierdo-Roca, V. (2019). Vibrational Properties
of RbInSe2: Raman Scattering Spectroscopy and First-Principle Calculations. The
Journal of Physical Chemistry C, 124, 1285–1291. https://doi.org/10.1021/acs.jpcc.9b08781'
bibtex: '@article{Guc_Kodalle_Kormath Madam Raghupathy_Mirhosseini_Kühne_Becerril-Romero_Pérez-Rodríguez_Kaufmann_Izquierdo-Roca_2019,
title={Vibrational Properties of RbInSe2: Raman Scattering Spectroscopy and First-Principle
Calculations}, volume={124}, DOI={10.1021/acs.jpcc.9b08781},
journal={The Journal of Physical Chemistry C}, author={Guc, Maxim and Kodalle,
Tim and Kormath Madam Raghupathy, Ramya and Mirhosseini, Hossein and Kühne, Thomas
D. and Becerril-Romero, Ignacio and Pérez-Rodríguez, Alejandro and Kaufmann, Christian
A. and Izquierdo-Roca, Victor}, year={2019}, pages={1285–1291} }'
chicago: 'Guc, Maxim, Tim Kodalle, Ramya Kormath Madam Raghupathy, Hossein Mirhosseini,
Thomas D. Kühne, Ignacio Becerril-Romero, Alejandro Pérez-Rodríguez, Christian
A. Kaufmann, and Victor Izquierdo-Roca. “Vibrational Properties of RbInSe2: Raman
Scattering Spectroscopy and First-Principle Calculations.” The Journal of Physical
Chemistry C 124 (2019): 1285–91. https://doi.org/10.1021/acs.jpcc.9b08781.'
ieee: 'M. Guc et al., “Vibrational Properties of RbInSe2: Raman Scattering
Spectroscopy and First-Principle Calculations,” The Journal of Physical Chemistry
C, vol. 124, pp. 1285–1291, 2019.'
mla: 'Guc, Maxim, et al. “Vibrational Properties of RbInSe2: Raman Scattering Spectroscopy
and First-Principle Calculations.” The Journal of Physical Chemistry C,
vol. 124, 2019, pp. 1285–91, doi:10.1021/acs.jpcc.9b08781.'
short: M. Guc, T. Kodalle, R. Kormath Madam Raghupathy, H. Mirhosseini, T.D. Kühne,
I. Becerril-Romero, A. Pérez-Rodríguez, C.A. Kaufmann, V. Izquierdo-Roca, The
Journal of Physical Chemistry C 124 (2019) 1285–1291.
date_created: 2020-01-30T13:23:09Z
date_updated: 2022-01-06T06:52:32Z
department:
- _id: '304'
doi: 10.1021/acs.jpcc.9b08781
intvolume: ' 124'
language:
- iso: eng
page: 1285-1291
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: The Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
- 1932-7455
publication_status: published
status: public
title: 'Vibrational Properties of RbInSe2: Raman Scattering Spectroscopy and First-Principle
Calculations'
type: journal_article
user_id: '71051'
volume: 124
year: '2019'
...
---
_id: '14021'
author:
- first_name: Sophia Katharina
full_name: Peter, Sophia Katharina
last_name: Peter
- first_name: Corinna
full_name: Kaulen, Corinna
last_name: Kaulen
- first_name: Alexander
full_name: Hoffmann, Alexander
last_name: Hoffmann
- first_name: Wojciech
full_name: Ogieglo, Wojciech
last_name: Ogieglo
- first_name: Silvia
full_name: Karthäuser, Silvia
last_name: Karthäuser
- first_name: Melanie
full_name: Homberger, Melanie
last_name: Homberger
- first_name: Sonja
full_name: Herres-Pawlis, Sonja
last_name: Herres-Pawlis
- first_name: Ulrich
full_name: Simon, Ulrich
last_name: Simon
citation:
ama: Peter SK, Kaulen C, Hoffmann A, et al. Stepwise Growth of Ruthenium Terpyridine
Complexes on Au Surfaces. The Journal of Physical Chemistry C. 2019;123(11):6537-6548.
doi:10.1021/acs.jpcc.8b12039
apa: Peter, S. K., Kaulen, C., Hoffmann, A., Ogieglo, W., Karthäuser, S., Homberger,
M., … Simon, U. (2019). Stepwise Growth of Ruthenium Terpyridine Complexes on
Au Surfaces. The Journal of Physical Chemistry C, 123(11), 6537–6548.
https://doi.org/10.1021/acs.jpcc.8b12039
bibtex: '@article{Peter_Kaulen_Hoffmann_Ogieglo_Karthäuser_Homberger_Herres-Pawlis_Simon_2019,
title={Stepwise Growth of Ruthenium Terpyridine Complexes on Au Surfaces}, volume={123},
DOI={10.1021/acs.jpcc.8b12039},
number={11}, journal={The Journal of Physical Chemistry C}, author={Peter, Sophia
Katharina and Kaulen, Corinna and Hoffmann, Alexander and Ogieglo, Wojciech and
Karthäuser, Silvia and Homberger, Melanie and Herres-Pawlis, Sonja and Simon,
Ulrich}, year={2019}, pages={6537–6548} }'
chicago: 'Peter, Sophia Katharina, Corinna Kaulen, Alexander Hoffmann, Wojciech
Ogieglo, Silvia Karthäuser, Melanie Homberger, Sonja Herres-Pawlis, and Ulrich
Simon. “Stepwise Growth of Ruthenium Terpyridine Complexes on Au Surfaces.” The
Journal of Physical Chemistry C 123, no. 11 (2019): 6537–48. https://doi.org/10.1021/acs.jpcc.8b12039.'
ieee: S. K. Peter et al., “Stepwise Growth of Ruthenium Terpyridine Complexes
on Au Surfaces,” The Journal of Physical Chemistry C, vol. 123, no. 11,
pp. 6537–6548, 2019.
mla: Peter, Sophia Katharina, et al. “Stepwise Growth of Ruthenium Terpyridine Complexes
on Au Surfaces.” The Journal of Physical Chemistry C, vol. 123, no. 11,
2019, pp. 6537–48, doi:10.1021/acs.jpcc.8b12039.
short: S.K. Peter, C. Kaulen, A. Hoffmann, W. Ogieglo, S. Karthäuser, M. Homberger,
S. Herres-Pawlis, U. Simon, The Journal of Physical Chemistry C 123 (2019) 6537–6548.
date_created: 2019-10-28T12:51:58Z
date_updated: 2022-01-06T06:51:52Z
doi: 10.1021/acs.jpcc.8b12039
intvolume: ' 123'
issue: '11'
language:
- iso: eng
page: 6537-6548
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: The Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
- 1932-7455
publication_status: published
status: public
title: Stepwise Growth of Ruthenium Terpyridine Complexes on Au Surfaces
type: journal_article
user_id: '40778'
volume: 123
year: '2019'
...
---
_id: '15723'
abstract:
- lang: eng
text: RbInSe2 is attracting growing interest as a secondary semiconductor compound
in Cu(In,Ga)Se2-based solar cells by virtue of the recent investigations on absorber
post-deposition treatments with alkali metal salts that have resulted in significant
efficiency improvements. However, the detection of the RbInSe2 phase on the surface
of chalcopyrite absorbers is very challenging due to its nanometric thickness
and the limited information available about its fundamental properties. In this
context, this work expounds a detailed analysis of the vibrational properties
of RbInSe2 that combines first-principle calculations with multiwavelength Raman
scattering spectroscopy and provides a methodology for the detection and identification
of very thin layers of this material employing solely optical measurements. As
a result, here, we present the classification of the different vibrational modes
together with the fingerprint Raman spectra of RbInSe2 thin films measured under
five different excitations (close to and far from resonance). The employment of
a 442 nm excitation wavelength is found to be the most adequate strategy for the
detection and characterization of the RbInSe2 phase in view of its resonance with
the band gap of the material and its low penetration depth. Additionally, the
purity of the deposited thin films as well as the possible influence of the subjacent
layers on the Raman spectra of the compound are also investigated by analyzing
the presence of secondary phases and by measuring RbInSe2 thin films deposited
onto Mo-coated soda-lime glass, respectively. These results set the basis for
the future evaluation of the suitability of Raman spectroscopy as a fast and nondestructive
characterization technique for the reliable identification and characterization
of the nanometric layers of RbInSe2 in Cu(In,Ga)Se2-based solar cells.
author:
- first_name: Maxim
full_name: Guc, Maxim
last_name: Guc
- first_name: Tim
full_name: Kodalle, Tim
last_name: Kodalle
- first_name: Ramya
full_name: Kormath Madam Raghupathy, Ramya
last_name: Kormath Madam Raghupathy
- first_name: Hossein
full_name: Mirhosseini, Hossein
id: '71051'
last_name: Mirhosseini
orcid: https://orcid.org/0000-0001-6179-1545
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
- first_name: Ignacio
full_name: Becerril-Romero, Ignacio
last_name: Becerril-Romero
- first_name: Alejandro
full_name: Pérez-Rodríguez, Alejandro
last_name: Pérez-Rodríguez
- first_name: Christian A.
full_name: Kaufmann, Christian A.
last_name: Kaufmann
- first_name: Victor
full_name: Izquierdo-Roca, Victor
last_name: Izquierdo-Roca
citation:
ama: 'Guc M, Kodalle T, Kormath Madam Raghupathy R, et al. Vibrational Properties
of RbInSe2: Raman Scattering Spectroscopy and First-Principle Calculations. The
Journal of Physical Chemistry C. Published online 2019:1285-1291. doi:10.1021/acs.jpcc.9b08781'
apa: 'Guc, M., Kodalle, T., Kormath Madam Raghupathy, R., Mirhosseini, H., Kühne,
T., Becerril-Romero, I., Pérez-Rodríguez, A., Kaufmann, C. A., & Izquierdo-Roca,
V. (2019). Vibrational Properties of RbInSe2: Raman Scattering Spectroscopy and
First-Principle Calculations. The Journal of Physical Chemistry C, 1285–1291.
https://doi.org/10.1021/acs.jpcc.9b08781'
bibtex: '@article{Guc_Kodalle_Kormath Madam Raghupathy_Mirhosseini_Kühne_Becerril-Romero_Pérez-Rodríguez_Kaufmann_Izquierdo-Roca_2019,
title={Vibrational Properties of RbInSe2: Raman Scattering Spectroscopy and First-Principle
Calculations}, DOI={10.1021/acs.jpcc.9b08781},
journal={The Journal of Physical Chemistry C}, author={Guc, Maxim and Kodalle,
Tim and Kormath Madam Raghupathy, Ramya and Mirhosseini, Hossein and Kühne, Thomas
and Becerril-Romero, Ignacio and Pérez-Rodríguez, Alejandro and Kaufmann, Christian
A. and Izquierdo-Roca, Victor}, year={2019}, pages={1285–1291} }'
chicago: 'Guc, Maxim, Tim Kodalle, Ramya Kormath Madam Raghupathy, Hossein Mirhosseini,
Thomas Kühne, Ignacio Becerril-Romero, Alejandro Pérez-Rodríguez, Christian A.
Kaufmann, and Victor Izquierdo-Roca. “Vibrational Properties of RbInSe2: Raman
Scattering Spectroscopy and First-Principle Calculations.” The Journal of Physical
Chemistry C, 2019, 1285–91. https://doi.org/10.1021/acs.jpcc.9b08781.'
ieee: 'M. Guc et al., “Vibrational Properties of RbInSe2: Raman Scattering
Spectroscopy and First-Principle Calculations,” The Journal of Physical Chemistry
C, pp. 1285–1291, 2019, doi: 10.1021/acs.jpcc.9b08781.'
mla: 'Guc, Maxim, et al. “Vibrational Properties of RbInSe2: Raman Scattering Spectroscopy
and First-Principle Calculations.” The Journal of Physical Chemistry C,
2019, pp. 1285–91, doi:10.1021/acs.jpcc.9b08781.'
short: M. Guc, T. Kodalle, R. Kormath Madam Raghupathy, H. Mirhosseini, T. Kühne,
I. Becerril-Romero, A. Pérez-Rodríguez, C.A. Kaufmann, V. Izquierdo-Roca, The
Journal of Physical Chemistry C (2019) 1285–1291.
date_created: 2020-01-30T13:06:31Z
date_updated: 2022-07-21T09:39:59Z
doi: 10.1021/acs.jpcc.9b08781
language:
- iso: eng
page: 1285-1291
publication: The Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
- 1932-7455
publication_status: published
status: public
title: 'Vibrational Properties of RbInSe2: Raman Scattering Spectroscopy and First-Principle
Calculations'
type: journal_article
user_id: '71051'
year: '2019'
...
---
_id: '13343'
author:
- first_name: Joachim
full_name: Vollbrecht, Joachim
last_name: Vollbrecht
- first_name: Christian
full_name: Wiebeler, Christian
last_name: Wiebeler
- first_name: Harald
full_name: Bock, Harald
last_name: Bock
- first_name: Stefan
full_name: Schumacher, Stefan
id: '27271'
last_name: Schumacher
orcid: 0000-0003-4042-4951
- first_name: Heinz-Siegfried
full_name: Kitzerow, Heinz-Siegfried
id: '254'
last_name: Kitzerow
citation:
ama: 'Vollbrecht J, Wiebeler C, Bock H, Schumacher S, Kitzerow H-S. Curved Polar
Dibenzocoronene Esters and Imides versus Their Planar Centrosymmetric Homologs:
Photophysical and Optoelectronic Analysis. The Journal of Physical Chemistry
C. 2019;123(7):4483-4492. doi:10.1021/acs.jpcc.8b10730'
apa: 'Vollbrecht, J., Wiebeler, C., Bock, H., Schumacher, S., & Kitzerow, H.-S.
(2019). Curved Polar Dibenzocoronene Esters and Imides versus Their Planar Centrosymmetric
Homologs: Photophysical and Optoelectronic Analysis. The Journal of Physical
Chemistry C, 123(7), 4483–4492. https://doi.org/10.1021/acs.jpcc.8b10730'
bibtex: '@article{Vollbrecht_Wiebeler_Bock_Schumacher_Kitzerow_2019, title={Curved
Polar Dibenzocoronene Esters and Imides versus Their Planar Centrosymmetric Homologs:
Photophysical and Optoelectronic Analysis}, volume={123}, DOI={10.1021/acs.jpcc.8b10730},
number={7}, journal={The Journal of Physical Chemistry C}, author={Vollbrecht,
Joachim and Wiebeler, Christian and Bock, Harald and Schumacher, Stefan and Kitzerow,
Heinz-Siegfried}, year={2019}, pages={4483–4492} }'
chicago: 'Vollbrecht, Joachim, Christian Wiebeler, Harald Bock, Stefan Schumacher,
and Heinz-Siegfried Kitzerow. “Curved Polar Dibenzocoronene Esters and Imides
versus Their Planar Centrosymmetric Homologs: Photophysical and Optoelectronic
Analysis.” The Journal of Physical Chemistry C 123, no. 7 (2019): 4483–92.
https://doi.org/10.1021/acs.jpcc.8b10730.'
ieee: 'J. Vollbrecht, C. Wiebeler, H. Bock, S. Schumacher, and H.-S. Kitzerow, “Curved
Polar Dibenzocoronene Esters and Imides versus Their Planar Centrosymmetric Homologs:
Photophysical and Optoelectronic Analysis,” The Journal of Physical Chemistry
C, vol. 123, no. 7, pp. 4483–4492, 2019, doi: 10.1021/acs.jpcc.8b10730.'
mla: 'Vollbrecht, Joachim, et al. “Curved Polar Dibenzocoronene Esters and Imides
versus Their Planar Centrosymmetric Homologs: Photophysical and Optoelectronic
Analysis.” The Journal of Physical Chemistry C, vol. 123, no. 7, 2019,
pp. 4483–92, doi:10.1021/acs.jpcc.8b10730.'
short: J. Vollbrecht, C. Wiebeler, H. Bock, S. Schumacher, H.-S. Kitzerow, The Journal
of Physical Chemistry C 123 (2019) 4483–4492.
date_created: 2019-09-19T13:36:01Z
date_updated: 2023-01-26T11:44:42Z
department:
- _id: '15'
- _id: '170'
- _id: '297'
- _id: '313'
- _id: '230'
doi: 10.1021/acs.jpcc.8b10730
intvolume: ' 123'
issue: '7'
language:
- iso: eng
page: 4483-4492
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: The Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
- 1932-7455
publication_status: published
status: public
title: 'Curved Polar Dibenzocoronene Esters and Imides versus Their Planar Centrosymmetric
Homologs: Photophysical and Optoelectronic Analysis'
type: journal_article
user_id: '16199'
volume: 123
year: '2019'
...
---
_id: '25904'
abstract:
- lang: eng
text: We examined the effect of CaCl2 and LiCl on ice melting in mesoporous silica
(MCM-41 and SBA-15 silica). For that purpose, we determined the ice melting temperature
in pores of various size (pore radii between 1.9 and 11.1 nm) in water and aqueous
solutions up to high total solute molality (up to about 12 mol kg–1) using differential
scanning calorimetry. We found that both electrolytes reduce the ice melting temperature
within the pores. An exception is the melting of ice in the smallest pores, which
does not seem to be affected by the presence of solutes, most likely owing to
an exclusion of the ions from entering the pores. For all other pores, we observed
that the ice melting temperature decreases as a function of pore size and electrolyte
concentration. Using thermodynamic considerations as well as additional experimental
data we developed a parametrization that can be used to predict the ice melting
point as a function of pore size and total solute molality. For that purpose,
we extended a formulation of the effective water activity of aqueous solutions
under mechanical pressure toward its application in confinement and tested this
new parametrization on literature data.
article_type: original
author:
- first_name: Evelyn
full_name: Jantsch, Evelyn
last_name: Jantsch
- first_name: Christian
full_name: Weinberger, Christian
id: '11848'
last_name: Weinberger
- first_name: Michael
full_name: Tiemann, Michael
id: '23547'
last_name: Tiemann
orcid: 0000-0003-1711-2722
- first_name: Thomas
full_name: Koop, Thomas
last_name: Koop
citation:
ama: Jantsch E, Weinberger C, Tiemann M, Koop T. Phase Transitions of Ice in Aqueous
Salt Solutions within Nanometer-Sized Pores. The Journal of Physical Chemistry
C. Published online 2019:24566-24574. doi:10.1021/acs.jpcc.9b06527
apa: Jantsch, E., Weinberger, C., Tiemann, M., & Koop, T. (2019). Phase Transitions
of Ice in Aqueous Salt Solutions within Nanometer-Sized Pores. The Journal
of Physical Chemistry C, 24566–24574. https://doi.org/10.1021/acs.jpcc.9b06527
bibtex: '@article{Jantsch_Weinberger_Tiemann_Koop_2019, title={Phase Transitions
of Ice in Aqueous Salt Solutions within Nanometer-Sized Pores}, DOI={10.1021/acs.jpcc.9b06527},
journal={The Journal of Physical Chemistry C}, author={Jantsch, Evelyn and Weinberger,
Christian and Tiemann, Michael and Koop, Thomas}, year={2019}, pages={24566–24574}
}'
chicago: Jantsch, Evelyn, Christian Weinberger, Michael Tiemann, and Thomas Koop.
“Phase Transitions of Ice in Aqueous Salt Solutions within Nanometer-Sized Pores.”
The Journal of Physical Chemistry C, 2019, 24566–74. https://doi.org/10.1021/acs.jpcc.9b06527.
ieee: 'E. Jantsch, C. Weinberger, M. Tiemann, and T. Koop, “Phase Transitions of
Ice in Aqueous Salt Solutions within Nanometer-Sized Pores,” The Journal of
Physical Chemistry C, pp. 24566–24574, 2019, doi: 10.1021/acs.jpcc.9b06527.'
mla: Jantsch, Evelyn, et al. “Phase Transitions of Ice in Aqueous Salt Solutions
within Nanometer-Sized Pores.” The Journal of Physical Chemistry C, 2019,
pp. 24566–74, doi:10.1021/acs.jpcc.9b06527.
short: E. Jantsch, C. Weinberger, M. Tiemann, T. Koop, The Journal of Physical Chemistry
C (2019) 24566–24574.
date_created: 2021-10-08T10:41:52Z
date_updated: 2023-03-08T08:31:45Z
department:
- _id: '35'
- _id: '2'
- _id: '307'
doi: 10.1021/acs.jpcc.9b06527
language:
- iso: eng
page: 24566-24574
publication: The Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
- 1932-7455
publication_status: published
quality_controlled: '1'
status: public
title: Phase Transitions of Ice in Aqueous Salt Solutions within Nanometer-Sized Pores
type: journal_article
user_id: '23547'
year: '2019'
...
---
_id: '19214'
author:
- first_name: S. V.
full_name: Badalov, S. V.
last_name: Badalov
- first_name: M.
full_name: Yagmurcukardes, M.
last_name: Yagmurcukardes
- first_name: F. M.
full_name: Peeters, F. M.
last_name: Peeters
- first_name: H.
full_name: Sahin, H.
last_name: Sahin
citation:
ama: Badalov SV, Yagmurcukardes M, Peeters FM, Sahin H. Enhanced Stability of Single-Layer
w-Gallenene through Hydrogenation. The Journal of Physical Chemistry C.
2018:28302-28309. doi:10.1021/acs.jpcc.8b07353
apa: Badalov, S. V., Yagmurcukardes, M., Peeters, F. M., & Sahin, H. (2018).
Enhanced Stability of Single-Layer w-Gallenene through Hydrogenation. The Journal
of Physical Chemistry C, 28302–28309. https://doi.org/10.1021/acs.jpcc.8b07353
bibtex: '@article{Badalov_Yagmurcukardes_Peeters_Sahin_2018, title={Enhanced Stability
of Single-Layer w-Gallenene through Hydrogenation}, DOI={10.1021/acs.jpcc.8b07353},
journal={The Journal of Physical Chemistry C}, author={Badalov, S. V. and Yagmurcukardes,
M. and Peeters, F. M. and Sahin, H.}, year={2018}, pages={28302–28309} }'
chicago: Badalov, S. V., M. Yagmurcukardes, F. M. Peeters, and H. Sahin. “Enhanced
Stability of Single-Layer w-Gallenene through Hydrogenation.” The Journal of
Physical Chemistry C, 2018, 28302–9. https://doi.org/10.1021/acs.jpcc.8b07353.
ieee: S. V. Badalov, M. Yagmurcukardes, F. M. Peeters, and H. Sahin, “Enhanced Stability
of Single-Layer w-Gallenene through Hydrogenation,” The Journal of Physical
Chemistry C, pp. 28302–28309, 2018.
mla: Badalov, S. V., et al. “Enhanced Stability of Single-Layer w-Gallenene through
Hydrogenation.” The Journal of Physical Chemistry C, 2018, pp. 28302–09,
doi:10.1021/acs.jpcc.8b07353.
short: S.V. Badalov, M. Yagmurcukardes, F.M. Peeters, H. Sahin, The Journal of Physical
Chemistry C (2018) 28302–28309.
date_created: 2020-09-09T15:53:54Z
date_updated: 2022-01-06T06:54:00Z
doi: 10.1021/acs.jpcc.8b07353
extern: '1'
language:
- iso: eng
page: 28302-28309
publication: The Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
- 1932-7455
publication_status: published
status: public
title: Enhanced Stability of Single-Layer w-Gallenene through Hydrogenation
type: journal_article
user_id: '78800'
year: '2018'
...
---
_id: '1764'
author:
- first_name: Bernhard
full_name: Atorf, Bernhard
last_name: Atorf
- first_name: Hoda
full_name: Rasouli, Hoda
last_name: Rasouli
- first_name: Holger
full_name: Mühlenbernd, Holger
last_name: Mühlenbernd
- first_name: Bernhard J.
full_name: Reineke, Bernhard J.
last_name: Reineke
- first_name: Thomas
full_name: Zentgraf, Thomas
id: '30525'
last_name: Zentgraf
orcid: 0000-0002-8662-1101
- first_name: Heinz-Siegfried
full_name: Kitzerow, Heinz-Siegfried
id: '254'
last_name: Kitzerow
citation:
ama: Atorf B, Rasouli H, Mühlenbernd H, Reineke BJ, Zentgraf T, Kitzerow H-S. Switchable
Plasmonic Holograms Utilizing the Electro-Optic Effect of a Liquid-Crystal Circular
Polarizer. The Journal of Physical Chemistry C. 2018;122(8):4600-4606.
doi:10.1021/acs.jpcc.7b12609
apa: Atorf, B., Rasouli, H., Mühlenbernd, H., Reineke, B. J., Zentgraf, T., &
Kitzerow, H.-S. (2018). Switchable Plasmonic Holograms Utilizing the Electro-Optic
Effect of a Liquid-Crystal Circular Polarizer. The Journal of Physical Chemistry
C, 122(8), 4600–4606. https://doi.org/10.1021/acs.jpcc.7b12609
bibtex: '@article{Atorf_Rasouli_Mühlenbernd_Reineke_Zentgraf_Kitzerow_2018, title={Switchable
Plasmonic Holograms Utilizing the Electro-Optic Effect of a Liquid-Crystal Circular
Polarizer}, volume={122}, DOI={10.1021/acs.jpcc.7b12609},
number={8}, journal={The Journal of Physical Chemistry C}, publisher={American
Chemical Society (ACS)}, author={Atorf, Bernhard and Rasouli, Hoda and Mühlenbernd,
Holger and Reineke, Bernhard J. and Zentgraf, Thomas and Kitzerow, Heinz-Siegfried},
year={2018}, pages={4600–4606} }'
chicago: 'Atorf, Bernhard, Hoda Rasouli, Holger Mühlenbernd, Bernhard J. Reineke,
Thomas Zentgraf, and Heinz-Siegfried Kitzerow. “Switchable Plasmonic Holograms
Utilizing the Electro-Optic Effect of a Liquid-Crystal Circular Polarizer.” The
Journal of Physical Chemistry C 122, no. 8 (2018): 4600–4606. https://doi.org/10.1021/acs.jpcc.7b12609.'
ieee: 'B. Atorf, H. Rasouli, H. Mühlenbernd, B. J. Reineke, T. Zentgraf, and H.-S.
Kitzerow, “Switchable Plasmonic Holograms Utilizing the Electro-Optic Effect of
a Liquid-Crystal Circular Polarizer,” The Journal of Physical Chemistry C,
vol. 122, no. 8, pp. 4600–4606, 2018, doi: 10.1021/acs.jpcc.7b12609.'
mla: Atorf, Bernhard, et al. “Switchable Plasmonic Holograms Utilizing the Electro-Optic
Effect of a Liquid-Crystal Circular Polarizer.” The Journal of Physical Chemistry
C, vol. 122, no. 8, American Chemical Society (ACS), 2018, pp. 4600–06, doi:10.1021/acs.jpcc.7b12609.
short: B. Atorf, H. Rasouli, H. Mühlenbernd, B.J. Reineke, T. Zentgraf, H.-S. Kitzerow,
The Journal of Physical Chemistry C 122 (2018) 4600–4606.
date_created: 2018-03-23T13:12:39Z
date_updated: 2023-01-10T13:17:01Z
department:
- _id: '15'
- _id: '230'
- _id: '313'
doi: 10.1021/acs.jpcc.7b12609
intvolume: ' 122'
issue: '8'
language:
- iso: eng
page: 4600-4606
publication: The Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
- 1932-7455
publication_status: published
publisher: American Chemical Society (ACS)
status: public
title: Switchable Plasmonic Holograms Utilizing the Electro-Optic Effect of a Liquid-Crystal
Circular Polarizer
type: journal_article
user_id: '14931'
volume: 122
year: '2018'
...
---
_id: '26106'
abstract:
- lang: eng
text: We study the variation of the adhesion forces between wet TiO2 nanoparticles
as a function of their size and the ambient relative humidity. Combining all-atom
molecular dynamics and capillary simulations we demonstrate that the linear scaling
of the interparticle forces with the particle diameter, well established for microscopic
and macroscopic particles, can be extended down to diameters of a few nm. At this
size scale, however, the molecular nature of the water adsorbates dictates the
adhesion forces both via solvation effects and influencing parameters of analytical
capillary models such as the equilibrium particle–particle separation distance
and the water/particle contact angle. Moreover, the water surface tension becomes
considerably larger than the macroscopic bulk value due to combined effects of
thin-film confinement and tight curvature, in a way that strongly depends on humidity
and particle size. Taking these effects into proper account, classical capillary
equations can be used to predict the interparticle forces even of the smallest
particles considered here (4 nm), although the circular approximation fails to
reproduce the distance at which the water meniscus breaks. Finally, the transition
between the dominating effects at the nanoscopic scale and conventional capillary
theory valid at microscopic size scales can be only rationalized if the presence
of roughness asperities on the surface of the large particles is explicitly taken
into account.
author:
- first_name: Jens
full_name: Laube, Jens
last_name: Laube
- first_name: Michael
full_name: Dörmann, Michael
last_name: Dörmann
- first_name: Hans-Joachim
full_name: Schmid, Hans-Joachim
id: '464'
last_name: Schmid
- first_name: Lutz
full_name: Mädler, Lutz
last_name: Mädler
- first_name: Lucio
full_name: Colombi Ciacchi, Lucio
last_name: Colombi Ciacchi
citation:
ama: Laube J, Dörmann M, Schmid H-J, Mädler L, Colombi Ciacchi L. Dependencies of
the Adhesion Forces between TiO2 Nanoparticles on Size and Ambient Humidity. The
Journal of Physical Chemistry C. Published online 2017:15294-15303. doi:10.1021/acs.jpcc.7b05655
apa: Laube, J., Dörmann, M., Schmid, H.-J., Mädler, L., & Colombi Ciacchi, L.
(2017). Dependencies of the Adhesion Forces between TiO2 Nanoparticles on Size
and Ambient Humidity. The Journal of Physical Chemistry C, 15294–15303.
https://doi.org/10.1021/acs.jpcc.7b05655
bibtex: '@article{Laube_Dörmann_Schmid_Mädler_Colombi Ciacchi_2017, title={Dependencies
of the Adhesion Forces between TiO2 Nanoparticles on Size and Ambient Humidity},
DOI={10.1021/acs.jpcc.7b05655},
journal={The Journal of Physical Chemistry C}, author={Laube, Jens and Dörmann,
Michael and Schmid, Hans-Joachim and Mädler, Lutz and Colombi Ciacchi, Lucio},
year={2017}, pages={15294–15303} }'
chicago: Laube, Jens, Michael Dörmann, Hans-Joachim Schmid, Lutz Mädler, and Lucio
Colombi Ciacchi. “Dependencies of the Adhesion Forces between TiO2 Nanoparticles
on Size and Ambient Humidity.” The Journal of Physical Chemistry C, 2017,
15294–303. https://doi.org/10.1021/acs.jpcc.7b05655.
ieee: 'J. Laube, M. Dörmann, H.-J. Schmid, L. Mädler, and L. Colombi Ciacchi, “Dependencies
of the Adhesion Forces between TiO2 Nanoparticles on Size and Ambient Humidity,”
The Journal of Physical Chemistry C, pp. 15294–15303, 2017, doi: 10.1021/acs.jpcc.7b05655.'
mla: Laube, Jens, et al. “Dependencies of the Adhesion Forces between TiO2 Nanoparticles
on Size and Ambient Humidity.” The Journal of Physical Chemistry C, 2017,
pp. 15294–303, doi:10.1021/acs.jpcc.7b05655.
short: J. Laube, M. Dörmann, H.-J. Schmid, L. Mädler, L. Colombi Ciacchi, The Journal
of Physical Chemistry C (2017) 15294–15303.
date_created: 2021-10-13T13:31:20Z
date_updated: 2022-01-06T06:57:16Z
doi: 10.1021/acs.jpcc.7b05655
language:
- iso: eng
page: 15294-15303
publication: The Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
- 1932-7455
publication_status: published
status: public
title: Dependencies of the Adhesion Forces between TiO2 Nanoparticles on Size and
Ambient Humidity
type: journal_article
user_id: '70093'
year: '2017'
...
---
_id: '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
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., … 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.'
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: 2022-01-06T06:51:35Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
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'
...