First-Principles Investigation of Anistropic Hole Mobilities in Organic Semiconductors
Тип публикации: Journal Article
Дата публикации: 2009-06-09
scimago Q1
wos Q3
БС2
SJR: 0.742
CiteScore: 5.3
Impact factor: 2.9
ISSN: 15206106, 15205207, 10895647
PubMed ID:
19552453
Materials Chemistry
Surfaces, Coatings and Films
Physical and Theoretical Chemistry
Краткое описание
We report a simple first-principles-based simulation model (combining quantum mechanics with Marcus-Hush theory) that provides the quantitative structural relationships between angular resolution anisotropic hole mobility and molecular structures and packing. We validate that this model correctly predicts the anisotropic hole mobilities of ruberene, pentacene, tetracene, 5,11-dichlorotetracene (DCT), and hexathiapentacene (HTP), leading to results in good agreement with experiment.
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309
Всего цитирований:
309
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ГОСТ |
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BibTex |
MLA
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ГОСТ
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Wen S. H. et al. First-Principles Investigation of Anistropic Hole Mobilities in Organic Semiconductors // Journal of Physical Chemistry B. 2009. Vol. 113. No. 26. pp. 8813-8819.
ГОСТ со всеми авторами (до 50)
Скопировать
Wen S. H., Li A., Song J., Deng W., Han K., Goddard W. A. I. First-Principles Investigation of Anistropic Hole Mobilities in Organic Semiconductors // Journal of Physical Chemistry B. 2009. Vol. 113. No. 26. pp. 8813-8819.
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RIS
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TY - JOUR
DO - 10.1021/jp900512s
UR - https://doi.org/10.1021/jp900512s
TI - First-Principles Investigation of Anistropic Hole Mobilities in Organic Semiconductors
T2 - Journal of Physical Chemistry B
AU - Wen, Shu Hao
AU - Li, An
AU - Song, Junling
AU - Deng, Weiqiao
AU - Han, Keli
AU - Goddard, William A. III
PY - 2009
DA - 2009/06/09
PB - American Chemical Society (ACS)
SP - 8813-8819
IS - 26
VL - 113
PMID - 19552453
SN - 1520-6106
SN - 1520-5207
SN - 1089-5647
ER -
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BibTex (до 50 авторов)
Скопировать
@article{2009_Wen,
author = {Shu Hao Wen and An Li and Junling Song and Weiqiao Deng and Keli Han and William A. III Goddard},
title = {First-Principles Investigation of Anistropic Hole Mobilities in Organic Semiconductors},
journal = {Journal of Physical Chemistry B},
year = {2009},
volume = {113},
publisher = {American Chemical Society (ACS)},
month = {jun},
url = {https://doi.org/10.1021/jp900512s},
number = {26},
pages = {8813--8819},
doi = {10.1021/jp900512s}
}
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MLA
Скопировать
Wen, Shu Hao, et al. “First-Principles Investigation of Anistropic Hole Mobilities in Organic Semiconductors.” Journal of Physical Chemistry B, vol. 113, no. 26, Jun. 2009, pp. 8813-8819. https://doi.org/10.1021/jp900512s.