American Chemical Society (ACS)
Journal of Physical Chemistry Letters
,  volume 16 ,  issue 44 ,  pages 11428-11433

H 2 O Deprotonation Promotes Hole Transfer at the Anatase TiO 2 (001)/Water Interface: First-Principles Molecular Dynamics

Fengshuang Han 1
, 
Xiao Chen 1
, 
Chen Kang 2
, 
Wanli Ma 3, 4
, 
Shriya Gumber 5, 6
, 
Qi Ao 1
, 
Zhenxiong HUANG 7, 8
, 
Liya Zhu 3, 4
, 
Dmitrii A. Abrameshin 9
, 
Dongyu Liu 9
, 
Elena A Kazakova 10, 11
, 
Andrey S Vasenko 9
, 
Oleg Prezhdo 12, 13
1
 
2
 
Powerchina Northwest Engineering Corporation Limited, Xi’an, China | 
3
 
School of Electrical and Information Engineering, Zhengzhou, China | 
4
 
5
 
Department of Chemistry, Los Angeles, United States | 
6
 
7
 
Jiangxi Provincial Key Laboratory of Greenhouse Gas Accounting and Carbon Reduction, Nanchang, China | 
8
 
Institute of Energy Research, Jiangxi Academy of Sciences, Nanchang, China | 
9
 
10
 
Department of Biochemistry, Moscow, Russia | 
11
 
12
 
Department of Chemistry and Chemical Biology, Albuquerque, United States | 
13
 
Publication type: Journal Article
Publication date: 2025-10-26
American Chemical Society (ACS)
scimago Q1
wos Q1
SJR: 1.394
CiteScore: 8.7
Impact factor: 4.6
ISSN: 19487185
Found 
Found 

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Han F. et al. H 2 O Deprotonation Promotes Hole Transfer at the Anatase TiO 2 (001)/Water Interface: First-Principles Molecular Dynamics // Journal of Physical Chemistry Letters. 2025. Vol. 16. No. 44. pp. 11428-11433.
GOST all authors (up to 50) Copy
Han F., Chen X., Chen Kang, Ma W., Gumber S., Ao Q., HUANG Z., Zhu L., Abrameshin D. A., Liu D., Kazakova E. A., Vasenko A. S., Prezhdo O. H 2 O Deprotonation Promotes Hole Transfer at the Anatase TiO 2 (001)/Water Interface: First-Principles Molecular Dynamics // Journal of Physical Chemistry Letters. 2025. Vol. 16. No. 44. pp. 11428-11433.
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TY - JOUR
DO - 10.1021/acs.jpclett.5c02928
UR - https://pubs.acs.org/doi/10.1021/acs.jpclett.5c02928
TI - H 2 O Deprotonation Promotes Hole Transfer at the Anatase TiO 2 (001)/Water Interface: First-Principles Molecular Dynamics
T2 - Journal of Physical Chemistry Letters
AU - Han, Fengshuang
AU - Chen, Xiao
AU - Chen Kang
AU - Ma, Wanli
AU - Gumber, Shriya
AU - Ao, Qi
AU - HUANG, Zhenxiong
AU - Zhu, Liya
AU - Abrameshin, Dmitrii A.
AU - Liu, Dongyu
AU - Kazakova, Elena A
AU - Vasenko, Andrey S
AU - Prezhdo, Oleg
PY - 2025
DA - 2025/10/26
PB - American Chemical Society (ACS)
SP - 11428-11433
IS - 44
VL - 16
SN - 1948-7185
ER -
BibTex |
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BibTex (up to 50 authors) Copy
@article{2025_Han,
author = {Fengshuang Han and Xiao Chen and Chen Kang and Wanli Ma and Shriya Gumber and Qi Ao and Zhenxiong HUANG and Liya Zhu and Dmitrii A. Abrameshin and Dongyu Liu and Elena A Kazakova and Andrey S Vasenko and Oleg Prezhdo},
title = {H 2 O Deprotonation Promotes Hole Transfer at the Anatase TiO 2 (001)/Water Interface: First-Principles Molecular Dynamics},
journal = {Journal of Physical Chemistry Letters},
year = {2025},
volume = {16},
publisher = {American Chemical Society (ACS)},
month = {oct},
url = {https://pubs.acs.org/doi/10.1021/acs.jpclett.5c02928},
number = {44},
pages = {11428--11433},
doi = {10.1021/acs.jpclett.5c02928}
}
MLA
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MLA Copy
Han, Fengshuang, et al. “H 2 O Deprotonation Promotes Hole Transfer at the Anatase TiO 2 (001)/Water Interface: First-Principles Molecular Dynamics.” Journal of Physical Chemistry Letters, vol. 16, no. 44, Oct. 2025, pp. 11428-11433. https://pubs.acs.org/doi/10.1021/acs.jpclett.5c02928.