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Journal Articles

Band alignment of CoO(100)–water and CoO(111)–water interfaces accelerated by machine learning potentials

Jin-Yuan Hu, Yong-Bin Zhuang, Jun Cheng
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 134110 (2024)
https://doi.org/10.1063/5.0224137
Published: October 2024
View article titled, Band alignment of CoO(100)–water and CoO(111)–water interfaces accelerated by machine learning potentials
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Journal Articles

Prediction of a novel two-dimensional superatomic Cd6S2 monolayer for photocatalytic water splitting

Zhifang Wang, Zaijun Gui, Chen Yan, Dan Li, Qinqin Yuan, Longjiu Cheng
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 134704 (2024)
https://doi.org/10.1063/5.0222309
Published: October 2024
View article titled, Prediction of a novel two-dimensional superatomic Cd<sub>6</sub>S<sub>2</sub> monolayer for photocatalytic water splitting
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Journal Articles

The physical chemistry of solar fuels catalysis

Karen L. Mulfort, Javier J. Concepcion, Benjamin Dietzek-Ivanšić, Osamu Ishitani, Junko Yano
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 110401 (2024)
https://doi.org/10.1063/5.0234241
Published: September 2024
View article titled, The physical chemistry of solar fuels catalysis
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Journal Articles

Substitutional Cu doping at the cation sites in Ba2YNbO6 toward improved visible-light photoactivity—A first-principles HSE06 study

Sankha Ghosh
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 114708 (2024)
https://doi.org/10.1063/5.0221428
Published: September 2024
View article titled, Substitutional Cu doping at the cation sites in Ba<sub>2</sub>YNbO<sub>6</sub> toward improved visible-light photoactivity—A first-principles HSE06 study
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Journal Articles

Edge sites regulation, strain and electric field effect on MoS2/CoS2 heterojunction catalysts for hydrogen evolution reaction

Jiahao Zhang, Chen Kang, Junfeng Ren, Meina Chen, Zijing Lin
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 114701 (2024)
https://doi.org/10.1063/5.0230967
Published: September 2024
View article titled, Edge sites regulation, strain and electric field effect on MoS<sub>2</sub>/CoS<sub>2</sub> heterojunction catalysts for hydrogen evolution reaction
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Journal Articles

Molecular picture of electric double layers with weakly adsorbed water

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Mei Jia, Junyi Wang, Qixiang Liu, Xiaohui Yang, Chao Zhang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 104702 (2024)
https://doi.org/10.1063/5.0226111
Published: September 2024
View article titled, Molecular picture of electric double layers with weakly adsorbed water
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Journal Articles

Synthesis of Ni decorated MoOx nanorod catalysts for efficient overall urea–water splitting

Zhiwei Li, Wenwen Yang, Kun Xiong, Jia Chen, Haidong Zhang, Mingliang Yang, Xing Gan, Yuan Gao
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 214703 (2024)
https://doi.org/10.1063/5.0206432
Published: June 2024
View article titled, Synthesis of Ni decorated MoO<sub>x</sub> nanorod catalysts for efficient overall urea–water splitting
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Journal Articles

Metasurface-enhanced photochemical activity in visible light absorbing semiconductors

Editor’s Pick
Yamuna Paudel, Diego J. Chachayma-Farfan, Andrea Alù, Matthew Y. Sfeir
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 144710 (2024)
https://doi.org/10.1063/5.0199589
Published: April 2024
View article titled, Metasurface-enhanced photochemical activity in visible light absorbing semiconductors
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Includes: Supplementary data
Journal Articles

Hybrid mesoporous electrodes evidence CISS effect on water oxidation

Priscila Vensaus, Yunchang Liang, Nicolas Zigon, Narcis Avarvari, Vladimiro Mujica, Galo J. A. A. Soler-Illia, Magalí Lingenfelder
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 111103 (2024)
https://doi.org/10.1063/5.0199339
Published: March 2024
View article titled, Hybrid mesoporous electrodes evidence CISS effect on water oxidation
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Includes: Supplementary data
Journal Articles

Tailoring photocatalytic water splitting activity of boron–thiophene polymer through pore size engineering

Preeti Bhauriyal, Thomas Heine
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 094712 (2024)
https://doi.org/10.1063/5.0197992
Published: March 2024
View article titled, Tailoring photocatalytic water splitting activity of boron–thiophene polymer through pore size engineering
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Includes: Supplementary data
Journal Articles

Interplay between protonation and Jahn–Teller effects in a manganese vanadium cubane water oxidation catalyst

Simon Tippner, Patrick Lechner, Leticia González, Sebastian Mai
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 084306 (2024)
https://doi.org/10.1063/5.0189673
Published: February 2024
View article titled, Interplay between protonation and Jahn–Teller effects in a manganese vanadium cubane water oxidation catalyst
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Includes: Supplementary data
Journal Articles

Metal-free carbazole–thiophene photosensitizers designed for a dye-sensitized H2-evolving photocatalyst in Z-scheme water splitting

Akinobu Nakada, Takayuki Yokota, Morihiko Ogura, Ninghui Chang, Osamu Tomita, Akinori Saeki, Masamichi Ogasawara, Ryu Abe
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 044710 (2024)
https://doi.org/10.1063/5.0179225
Published: January 2024
View article titled, Metal-free carbazole–thiophene photosensitizers designed for a dye-sensitized H<sub>2</sub>-evolving photocatalyst in Z-scheme water splitting
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Includes: Supplementary data
Journal Articles

In-based coordination polymer-derived carbon nanoribbons with abundant CoP nanoparticles in carbon nanotubes for water oxidation

Xiaofang Wang, Yuanyuan Guo, Yanqiong Shen, Jinjie Qian
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 024701 (2024)
https://doi.org/10.1063/5.0185031
Published: January 2024
View article titled, In-based coordination polymer-derived carbon nanoribbons with abundant CoP nanoparticles in carbon nanotubes for water oxidation
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Includes: Supplementary data
Journal Articles

A multimodal flow reactor for photocatalysis under atmospheric conditions

Angel T. Garcia‐Esparza, Muhammad Qureshi, Dean Skoien, Thomas J. P. Hersbach, Dimosthenis Sokaras
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 244201 (2023)
https://doi.org/10.1063/5.0179259
Published: December 2023
View article titled, A multimodal flow reactor for photocatalysis under atmospheric conditions
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Journal Articles

Hydroxypyridinate-bridged paddlewheel-type dirhodium complex as a catalyst for photochemical and electrochemical hydrogen evolution

Yusuke Kataoka, Kozo Sato, Natsumi Yano
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 204304 (2023)
https://doi.org/10.1063/5.0173976
Published: November 2023
View article titled, Hydroxypyridinate-bridged paddlewheel-type dirhodium complex as a catalyst for photochemical and electrochemical hydrogen evolution
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Includes: Supplementary data
Journal Articles

Substantial impact of surface charges on electrochemical reaction kinetics on S vacancies of MoS2 using grand-canonical iteration method

Yi An, Wei Cao, Min Ouyang, Shiqi Chen, Guangjin Wang, Xiaobo Chen
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 144702 (2023)
https://doi.org/10.1063/5.0153358
Published: October 2023
View article titled, Substantial impact of surface charges on electrochemical reaction kinetics on S vacancies of MoS<sub>2</sub> using grand-canonical iteration method
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Includes: Supplementary data
Journal Articles

CoNiFe alloy nanoparticles encapsulated into nitrogen-doped carbon nanotubes toward superior electrocatalytic overall water splitting in alkaline freshwater/seawater under large-current density

Yue Wang, Pengfei Yang, Yuecheng Gong, Zhenyu Xiao, Weiping Xiao, Liantao Xin, Zexing Wu, Lei Wang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 134701 (2023)
https://doi.org/10.1063/5.0168354
Published: October 2023
View article titled, CoNiFe alloy nanoparticles encapsulated into nitrogen-doped carbon nanotubes toward superior electrocatalytic overall water splitting in alkaline freshwater/seawater under large-current density
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Includes: Supplementary data
Journal Articles

Ideal gas reference for association/dissociation reactions: Concentration bias and kinetic reference voltage/potentials in electrolysis

Tobias Binninger, Adrian Heinritz, Rhiyaad Mohamed
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 124129 (2023)
https://doi.org/10.1063/5.0118467
Published: March 2023
View article titled, Ideal gas reference for association/dissociation reactions: Concentration bias and kinetic reference voltage/potentials in electrolysis
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Includes: Supplementary data
Journal Articles

Ab initio study of water dissociation on a charged Pd(111) surface

Editor’s Pick
Karen Fidanyan, Guoyuan Liu, Mariana Rossi
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 094707 (2023)
https://doi.org/10.1063/5.0139082
Published: March 2023
View article titled, <em>Ab initio</em> study of water dissociation on a charged Pd(111) surface
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Includes: Supplementary data
Journal Articles

Polypyrrole modification on BiVO4 for photothermal-assisted photoelectrochemical water oxidation

Jiazhe Wu, Xiaoya Xu, Xu Guo, Wensheng Xie, Lixia Pan, Yubin Chen
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 091102 (2023)
https://doi.org/10.1063/5.0130217
Published: March 2023
View article titled, Polypyrrole modification on BiVO<sub>4</sub> for photothermal-assisted photoelectrochemical water oxidation
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Includes: Supplementary data