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Journal Articles

In situ Raman reveals the critical role of Pd in electrocatalytic CO2 reduction to CH4 on Cu-based catalysts

Zi-Yu Du, Kun Wang, Yi-Meng Xie, Yu Zhao, Zheng-Xin Qian, Si-Bo Li, Qing-Na Zheng, Jing-Hua Tian, Alexander V. Rudnev, Yue-Jiao Zhang, Hua Zhang, Jian-Feng Li
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 021101 (2024)
https://doi.org/10.1063/5.0213850
Published: July 2024
View article titled, <em>In situ</em> Raman reveals the critical role of Pd in electrocatalytic CO<sub>2</sub> reduction to CH<sub>4</sub> on Cu-based catalysts
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Journal Articles

Time-dependent electron transfer and energy dissipation in condensed media

Elvis F. Arguelles, Osamu Sugino
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 144102 (2024)
https://doi.org/10.1063/5.0196143
Published: April 2024
View article titled, Time-dependent electron transfer and energy dissipation in condensed media
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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

Binder-free barium-implanted MnO2 nanosheets on carbon cloth for flexible zinc-ion batteries

Yueying Li, Na Li, Zhen Li, Jian-Gan Wang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 014701 (2024)
https://doi.org/10.1063/5.0184529
Published: January 2024
View article titled, Binder-free barium-implanted MnO<sub>2</sub> nanosheets on carbon cloth for flexible zinc-ion batteries
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Includes: Supplementary data
Journal Articles

The chemical physics of electrode-electrolyte interfaces

Jahan M. Dawlaty, Susan Perkin, Mathieu Salanne, Adam P. Willard
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 150401 (2023)
https://doi.org/10.1063/5.0177099
Published: October 2023
View article titled, The chemical physics of electrode-electrolyte interfaces
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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

Thermodynamic and kinetic modeling of electrocatalytic reactions using a first-principles approach

Vasanthapandiyan M, Shagun Singh, Fernanda Bononi, Oliviero Andreussi, Naiwrit Karmodak
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 111001 (2023)
https://doi.org/10.1063/5.0165835
Published: September 2023
View article titled, Thermodynamic and kinetic modeling of electrocatalytic reactions using a first-principles approach
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Journal Articles

CO2 reduction on adatom decorated platinum stepped surfaces

Intissar Kherbach, Víctor Climent, Juan M. Feliu
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 214703 (2023)
https://doi.org/10.1063/5.0147195
Published: June 2023
View article titled, CO<sub>2</sub> reduction on adatom decorated platinum stepped surfaces
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Journal Articles

Elevating the energy efficiency for the power-to-ammonia conversion: Role of oxygen evolution reaction kinetics

Ashmita Biswas, Ramendra Sundar Dey
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 201103 (2023)
https://doi.org/10.1063/5.0153706
Published: May 2023
View article titled, Elevating the energy efficiency for the power-to-ammonia conversion: Role of oxygen evolution reaction kinetics
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Includes: Supplementary data
Journal Articles

A spectroscopic study of the mechanism of Au(III) (hydro-)oxides in promoting plasmon-mediated photoelectrochemical water-oxidation

Li-Wen Wu, Chiyan Liu, Yong Han, Yi Yu, Zhi Liu, Yi-Fan Huang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 151102 (2023)
https://doi.org/10.1063/5.0138672
Published: April 2023
View article titled, A spectroscopic study of the mechanism of Au(III) (hydro-)oxides in promoting plasmon-mediated photoelectrochemical water-oxidation
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Includes: Supplementary data
Journal Articles

The surface states of transition metal X-ides under electrocatalytic conditions

Heng Liu, Xue Jia, Ang Cao, Li Wei, Carmine D’agostino, Hao Li
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 124705 (2023)
https://doi.org/10.1063/5.0147123
Published: March 2023
View article titled, The surface states of transition metal X-ides under electrocatalytic conditions
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Includes: Supplementary data
Journal Articles

Superoxide intermediate in the oxygen reduction on a zinc hydroxide model corrosion product

Simantini Nayak, P. Ulrich Biedermann, Andreas Erbe
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 224702 (2022)
https://doi.org/10.1063/5.0130076
Published: December 2022
View article titled, Superoxide intermediate in the oxygen reduction on a zinc hydroxide model corrosion product
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Includes: Supplementary data
Journal Articles

Synergistic effect of diatomic Mo–B site confined in graphene-like C2N enables electrocatalytic nitrogen reduction via novel mechanism

Yang Li (李阳), Wei An (安炜)
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 214702 (2022)
https://doi.org/10.1063/5.0112520
Published: December 2022
View article titled, Synergistic effect of diatomic Mo–B site confined in graphene-like C<sub>2</sub>N enables electrocatalytic nitrogen reduction via novel mechanism
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Includes: Supplementary data
Journal Articles

Determining the role of Pd catalyst morphology and deposition criteria over large area plasmonic metasurfaces during light-enhanced electrochemical oxidation of formic acid

Rambabu Yalavarthi, Olivier Henrotte, Štěpán Kment, Alberto Naldoni
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 114706 (2022)
https://doi.org/10.1063/5.0102012
Published: September 2022
View article titled, Determining the role of Pd catalyst morphology and deposition criteria over large area plasmonic metasurfaces during light-enhanced electrochemical oxidation of formic acid
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Includes: Supplementary data
Journal Articles

Plasmon-enhanced electrochemical oxidation of 4-(hydroxymethyl)benzoic acid

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Jingjing Qiu, Daniel Boskin, Dallas Oleson, Weiming Wu, Marc Anderson
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 081101 (2022)
https://doi.org/10.1063/5.0106914
Published: August 2022
View article titled, Plasmon-enhanced electrochemical oxidation of 4-(hydroxymethyl)benzoic acid
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Includes: Supplementary data
Journal Articles

Plasmonic hot carrier-driven photoelectrochemical water splitting on antenna–reactor Pt/Ag/TiO2 Schottky nanodiodes

Featured
Heeyoung Kim, Hyewon Park, Mincheol Kang, Jeong Young Park
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 084701 (2022)
https://doi.org/10.1063/5.0097713
Published: August 2022
View article titled, Plasmonic hot carrier-driven photoelectrochemical water splitting on antenna–reactor Pt/Ag/TiO<sub>2</sub> Schottky nanodiodes
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Includes: Supplementary data
Journal Articles

Plasmonically enhanced electrochemistry boosted by nonaqueous solvent

Padmanabh B. Joshi, Andrew J. Wilson
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 241101 (2022)
https://doi.org/10.1063/5.0094694
Published: June 2022
View article titled, Plasmonically enhanced electrochemistry boosted by nonaqueous solvent
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Includes: Supplementary data
Journal Articles

An orbital-based representation for accurate quantum machine learning

Konstantin Karandashev, O. Anatole von Lilienfeld
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 114101 (2022)
https://doi.org/10.1063/5.0083301
Published: March 2022
View article titled, An orbital-based representation for accurate quantum machine learning
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Includes: Supplementary data
Journal Articles

Microscopic EDL structures and charge–potential relation on stepped platinum surface: Insights from the ab initio molecular dynamics simulations

Peng Li, Yuwen Liu, Shengli Chen
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 104701 (2022)
https://doi.org/10.1063/5.0080104
Published: March 2022
View article titled, Microscopic EDL structures and charge–potential relation on stepped platinum surface: Insights from the <em>ab initio</em> molecular dynamics simulations
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Includes: Supplementary data
Journal Articles

Revisiting the link between magnetic properties and chemisorption at graphene nanoribbon zigzag edge

Ziyang Wei, Philippe Sautet
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 044706 (2022)
https://doi.org/10.1063/5.0079064
Published: January 2022
View article titled, Revisiting the link between magnetic properties and chemisorption at graphene nanoribbon zigzag edge
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Includes: Supplementary data