Page 1 | Search Results | The Journal of Chemical Physics

1-20 of 208

Sort by

Sort Order Select

Journal Articles

Variational functional in local density approximation for coulombic electrolyte correlations in the electric double layer

Nils Bruch, Tobias Binninger, Jun Huang, Michael Eikerling

J. Chem. Phys. 162, 224703 (2025)

https://doi.org/10.1063/5.0250135

Published: June 2025

View articletitled, Variational functional in local density approximation for coulombic electrolyte correlations in the electric double layer

Journal Articles

Double-layer capacitance peaks: Origins, ion dependence, and temperature effects

Erfei Zhen, Yanxia Chen, Jun Huang

J. Chem. Phys. 162, 144702 (2025)

https://doi.org/10.1063/5.0251548

Published: April 2025

View articletitled, Double-layer capacitance peaks: Origins, ion dependence, and temperature effects

Journal Articles

Toward improved descriptors by refining the complex reaction network in electrocatalysis

Han Lu, Huan Li, Jun Long, Hao Li, Jianping Xiao

J. Chem. Phys. 162, 130901 (2025)

https://doi.org/10.1063/5.0255158

Published: April 2025

View articletitled, Toward improved descriptors by refining the complex reaction network in electrocatalysis

Journal Articles

Electrolytes in conducting nanopores: Revisiting constant charge and constant potential simulations

Alexander Reinauer, Svyatoslav Kondrat, Christian Holm

J. Chem. Phys. 161, 104101 (2024)

https://doi.org/10.1063/5.0226959

Published: September 2024

View articletitled, Electrolytes in conducting nanopores: Revisiting constant charge and constant potential simulations

Journal Articles

Charge regulation of nanoparticles in the presence of multivalent electrolytes

Thiago Colla, Amin Bakhshandeh, Yan Levin

J. Chem. Phys. 161, 094103 (2024)

https://doi.org/10.1063/5.0220654

Published: September 2024

View articletitled, Charge regulation of nanoparticles in the presence of multivalent electrolytes

Journal Articles

Donnan equilibrium in charged slit-pores from a hybrid nonequilibrium molecular dynamics/Monte Carlo method with ions and solvent exchange

Jeongmin Kim, Benjamin Rotenberg

J. Chem. Phys. 161, 054107 (2024)

https://doi.org/10.1063/5.0220913

Published: August 2024

View articletitled, Donnan equilibrium in charged slit-pores from a hybrid nonequilibrium molecular dynamics/Monte Carlo method with ions and solvent exchange

Journal Articles

Correcting implicit solvation at metal/water interfaces through the incorporation of competitive water adsorption

Kwanpyung Lee, J. R. Schmidt

J. Chem. Phys. 161, 041103 (2024)

https://doi.org/10.1063/5.0222077

Published: July 2024

View articletitled, Correcting implicit solvation at metal/water interfaces through the incorporation of competitive water adsorption

Journal Articles

Electric-field induced phase separation and dielectric breakdown in leaky dielectric mixtures: Thermodynamics and kinetics

Haodong Zhang, Fei Wang, Britta Nestler

J. Chem. Phys. 161, 044704 (2024)

https://doi.org/10.1063/5.0203527

Published: July 2024

View articletitled, Electric-field induced phase separation and dielectric breakdown in leaky dielectric mixtures: Thermodynamics and kinetics

Journal Articles

From 2e⁻ to 4e⁻ pathway in the alkaline oxygen reduction reaction on Au(100): Kinetic circumvention of the volcano curve

Yuke Li, Bing-Yu Liu, Yanxia Chen, Zhi-Feng Liu

J. Chem. Phys. 160, 244705 (2024)

https://doi.org/10.1063/5.0211477

Published: June 2024

View articletitled, From 2e− to 4e− pathway in the alkaline oxygen reduction reaction on Au(100): Kinetic circumvention of the volcano curve

Journal Articles

Revisit the classical theories of the conductance of unassociated electrolytes. Is there reality in relaxation?

Keisaku Kimura

J. Chem. Phys. 160, 224503 (2024)

https://doi.org/10.1063/5.0210004

Published: June 2024

View articletitled, Revisit the classical theories of the conductance of unassociated electrolytes. Is there reality in relaxation?

Journal Articles

Metal-support spin orders: Crucial effect on electrocatalytic oxygen reduction

Yi-jie Chen, Jun Wen, Zhi-rui Luo, Fu-Li Sun, Wen-xian Chen, Gui-lin Zhuang

J. Chem. Phys. 160, 224702 (2024)

https://doi.org/10.1063/5.0207891

Published: June 2024

View articletitled, Metal-support spin orders: Crucial effect on electrocatalytic oxygen reduction

Journal Articles

Constant potential energetics of metallic and semiconducting electrodes: A benchmark study on 2D materials

Hedda Oschinski, Nicolas Georg Hörmann, Karsten Reuter

J. Chem. Phys. 160, 214706 (2024)

https://doi.org/10.1063/5.0202849

Published: June 2024

View articletitled, Constant potential energetics of metallic and semiconducting electrodes: A benchmark study on 2D materials

Journal Articles

Time-dependent electron transfer and energy dissipation in condensed media

Elvis F. Arguelles, Osamu Sugino

J. Chem. Phys. 160, 144102 (2024)

https://doi.org/10.1063/5.0196143

Published: April 2024

View articletitled, Time-dependent electron transfer and energy dissipation in condensed media

Journal Articles

Molecular dynamics simulation study of water structure and dynamics on the gold electrode surface with adsorbed 4-mercaptobenzonitrile

Kijeong Kwac, Nan Yang, Matthew J. Ryan, Martin T. Zanni, Minhaeng Cho

J. Chem. Phys. 160, 064701 (2024)

https://doi.org/10.1063/5.0189122

Published: February 2024

View articletitled, Molecular dynamics simulation study of water structure and dynamics on the gold electrode surface with adsorbed 4-mercaptobenzonitrile

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

J. Chem. Phys. 159, 111001 (2023)

https://doi.org/10.1063/5.0165835

Published: September 2023

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

Journal Articles

A new method for reactive constant pH simulations

Yan Levin, Amin Bakhshandeh

J. Chem. Phys. 159, 111101 (2023)

https://doi.org/10.1063/5.0166840

Published: September 2023

View articletitled, A new method for reactive constant pH simulations

Journal Articles

Continuous constant potential model for describing the potential-dependent energetics of CO₂RR on single atom catalysts

Xin-Mao Lv, Hong-Yan Zhao, Yang-Gang Wang

J. Chem. Phys. 159, 094109 (2023)

https://doi.org/10.1063/5.0164869

Published: September 2023

View articletitled, Continuous constant potential model for describing the potential-dependent energetics of CO2RR on single atom catalysts

Includes: Supplementary data

Journal Articles

CO₂ reduction on adatom decorated platinum stepped surfaces

Intissar Kherbach, Víctor Climent, Juan M. Feliu

J. Chem. Phys. 158, 214703 (2023)

https://doi.org/10.1063/5.0147195

Published: June 2023

View articletitled, CO2 reduction on adatom decorated platinum stepped surfaces

Journal Articles

The nanofluidic capacitor: Differential capacitance in the absence of reservoirs

Mpumelelo Matse, Peter Berg

J. Chem. Phys. 158, 164702 (2023)

https://doi.org/10.1063/5.0132546

Published: April 2023

View articletitled, The nanofluidic capacitor: Differential capacitance in the absence of reservoirs

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

J. Chem. Phys. 158, 151102 (2023)

https://doi.org/10.1063/5.0138672

Published: April 2023

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

Includes: Supplementary data

Update search

NARROW

Format

Collections

Topics

Subjects

Journal

Article Type

Issue Section

Date

Availability

Variational functional in local density approximation for coulombic electrolyte correlations in the electric double layer

Double-layer capacitance peaks: Origins, ion dependence, and temperature effects

Toward improved descriptors by refining the complex reaction network in electrocatalysis

Electrolytes in conducting nanopores: Revisiting constant charge and constant potential simulations

Charge regulation of nanoparticles in the presence of multivalent electrolytes

Donnan equilibrium in charged slit-pores from a hybrid nonequilibrium molecular dynamics/Monte Carlo method with ions and solvent exchange

Correcting implicit solvation at metal/water interfaces through the incorporation of competitive water adsorption

Electric-field induced phase separation and dielectric breakdown in leaky dielectric mixtures: Thermodynamics and kinetics

From 2e⁻ to 4e⁻ pathway in the alkaline oxygen reduction reaction on Au(100): Kinetic circumvention of the volcano curve

Revisit the classical theories of the conductance of unassociated electrolytes. Is there reality in relaxation?

Metal-support spin orders: Crucial effect on electrocatalytic oxygen reduction

Constant potential energetics of metallic and semiconducting electrodes: A benchmark study on 2D materials

Time-dependent electron transfer and energy dissipation in condensed media

Molecular dynamics simulation study of water structure and dynamics on the gold electrode surface with adsorbed 4-mercaptobenzonitrile

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

A new method for reactive constant pH simulations

Continuous constant potential model for describing the potential-dependent energetics of CO₂RR on single atom catalysts

CO₂ reduction on adatom decorated platinum stepped surfaces

The nanofluidic capacitor: Differential capacitance in the absence of reservoirs

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

Resources

Explore

pubs.aip.org

Connect with AIP Publishing

Update search

Resources

Explore

pubs.aip.org

Connect with AIP Publishing

This Feature Is Available To Subscribers Only