Page 1 | Search Results | The Journal of Chemical Physics

1-20 of 68

Sort by

Sort Order Select

Journal Articles

Comparative analysis of surface phase diagrams in aqueous environment: Implicit vs explicit solvation models

Jing Yang, Mira Todorova, Jörg Neugebauer

J. Chem. Phys. 160, 164715 (2024)

https://doi.org/10.1063/5.0190304

Published: April 2024

View article titled, Comparative analysis of surface phase diagrams in aqueous environment: Implicit vs explicit solvation models

Includes: Supplementary data

Journal Articles

Suppression of cracking in drying colloidal suspensions with chain-like particles

Zhaoxia Niu, Yiping Zhao, Qiuting Zhang, Zhiyuan Zhao, Dengteng Ge, Jiajia Zhou, Ye Xu

J. Chem. Phys. 160, 164901 (2024)

https://doi.org/10.1063/5.0203112

Published: April 2024

View article titled, Suppression of cracking in drying colloidal suspensions with chain-like particles

Includes: Supplementary data

Journal Articles

Wafer-scale development, characterization, and high temperature stabilization of epitaxial Cr₂O₃ films grown on Ru(0001)

Quintin Cumston, Matthew Patrick, Ahmed R. Hegazy, Amirali Zangiabadi, Maximillian Daughtry, Kevin R. Coffey, Katayun Barmak, William E. Kaden

J. Chem. Phys. 160, 144705 (2024)

https://doi.org/10.1063/5.0201818

Published: April 2024

View article titled, Wafer-scale development, characterization, and high temperature stabilization of epitaxial Cr2O3 films grown on Ru(0001)

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

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

Includes: Supplementary data

Journal Articles

Experimental and fluid flow simulation studies of laser-electrochemical hybrid manufacturing of micro–nano symbiotic superamphiphobic surfaces

Yang Liu, Xinyu Liu, Zhaoyang Zhang, Jinzhong Lu, Yufeng Wang, Kun Xu, Hao Zhu, Bo Wang, Liqu Lin, Wei Xue

J. Chem. Phys. 159, 114702 (2023)

https://doi.org/10.1063/5.0166375

Published: September 2023

View article titled, Experimental and fluid flow simulation studies of laser-electrochemical hybrid manufacturing of micro–nano symbiotic superamphiphobic surfaces

Journal Articles

BAMline—A real-life sample materials research beamline

Ana Guilherme Buzanich, Martin Radtke, Kirill V. Yusenko, Tomasz M. Stawski, Anicó Kulow, Cafer Tufan Cakir, Bettina Röder, Christoph Naese, Ralf Britzke, Michael Sintschuk, Franziska Emmerling

J. Chem. Phys. 158, 244202 (2023)

https://doi.org/10.1063/5.0157194

Published: June 2023

View article titled, BAMline—A real-life sample materials research beamline

Journal Articles

Effect of the solvent quadrupolarizability on the strength of the hydrogen bond: Theory vs data for the Gibbs energy and enthalpy of homo- and heteroassociation between carboxylic acids and water

Lana J. Farren, Najib Sharifi, Stuart M. Clarke, Radomir I. Slavchov

J. Chem. Phys. 158, 214503 (2023)

https://doi.org/10.1063/5.0137052

Published: June 2023

View article titled, Effect of the solvent quadrupolarizability on the strength of the hydrogen bond: Theory vs data for the Gibbs energy and enthalpy of homo- and heteroassociation between carboxylic acids and water

Includes: Supplementary data

Journal Articles

The kinetics of the PuO₂ to Pu₂O₃ conversion

L. N. Dinh, S. B. Donald, J. A. Stanford, C. K. Saw, R. Gollott, J. M. Haschke, W. McLean, II

J. Chem. Phys. 158, 134703 (2023)

https://doi.org/10.1063/5.0145400

Published: April 2023

View article titled, The kinetics of the PuO2 to Pu2O3 conversion

Journal Articles

Analytical model for ionic current dominated corrosion of nanoelectrodes in metalized films: Frequency and electric stress

Hua Li, Tian Qiu, Zheng Li, Fuchang Lin, Qin Zhang

J. Chem. Phys. 158, 114702 (2023)

https://doi.org/10.1063/5.0141070

Published: March 2023

View article titled, Analytical model for ionic current dominated corrosion of nanoelectrodes in metalized films: Frequency and electric stress

Journal Articles

Computational description of surface hydride phases on Pt(111) electrodes

Selwyn Hanselman, Federico Calle-Vallejo, Marc T. M. Koper

J. Chem. Phys. 158, 014703 (2023)

https://doi.org/10.1063/5.0125436

Published: January 2023

View article titled, Computational description of surface hydride phases on Pt(111) electrodes

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

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

Includes: Supplementary data

Journal Articles

Molecular dynamics study of structure and reactions at the hydroxylated Mg(0001)/bulk water interface

R. M. Fogarty, A. P. Horsfield

J. Chem. Phys. 157, 154705 (2022)

https://doi.org/10.1063/5.0105828

Published: October 2022

View article titled, Molecular dynamics study of structure and reactions at the hydroxylated Mg(0001)/bulk water interface

Includes: Supplementary data

Journal Articles

Constant-potential molecular dynamics simulations of molten salt double layers for FLiBe and FLiNaK

Luke Langford, Nicholas Winner, Andrea Hwang, Haley Williams, Lorenzo Vergari, Raluca O. Scarlat, Mark Asta

J. Chem. Phys. 157, 094705 (2022)

https://doi.org/10.1063/5.0097697

Published: September 2022

View article titled, Constant-potential molecular dynamics simulations of molten salt double layers for FLiBe and FLiNaK

Includes: Supplementary data

Journal Articles

Screening of bimetallic electrocatalysts for water purification with machine learning

Richard Tran, Duo Wang, Ryan Kingsbury, Aini Palizhati, Kristin Aslaug Persson, Anubhav Jain, Zachary W. Ulissi

J. Chem. Phys. 157, 074102 (2022)

https://doi.org/10.1063/5.0092948

Published: August 2022

View article titled, Screening of bimetallic electrocatalysts for water purification with machine learning

Journal Articles

Structure and interactions at the Mg(0001)/water interface: An ab initio study

R. M. Fogarty, B. X. Li, N. M. Harrison, A. P. Horsfield

J. Chem. Phys. 156, 244702 (2022)

https://doi.org/10.1063/5.0093562

Published: June 2022

View article titled, Structure and interactions at the Mg(0001)/water interface: An ab initio study

Includes: Supplementary data

Journal Articles

Modeling magnesium surfaces and their dissolution in an aqueous environment using an implicit solvent model

Alex Aziz, Javier Carrasco

J. Chem. Phys. 156, 174702 (2022)

https://doi.org/10.1063/5.0087683

Published: May 2022

View article titled, Modeling magnesium surfaces and their dissolution in an aqueous environment using an implicit solvent model

Includes: Supplementary data

Journal Articles

A first-principles study of hydrogen surface coverage on δ-Pu (100), (111), and (110) surfaces

Ryan Gotchy Mullen, Nir Goldman

J. Chem. Phys. 155, 234702 (2021)

https://doi.org/10.1063/5.0064515

Published: December 2021

View article titled, A first-principles study of hydrogen surface coverage on δ-Pu (100), (111), and (110) surfaces

Includes: Supplementary data

Journal Articles

Formation, lithium storage properties, and mechanism of nanoporous germanium fabricated by dealloying

Shengzhen Wang, Wensheng Ma, Wanfeng Yang, Qingguo Bai, Hui Gao, Zhangquan Peng, Zhonghua Zhang

J. Chem. Phys. 155, 184702 (2021)

https://doi.org/10.1063/5.0067237

Published: November 2021

View article titled, Formation, lithium storage properties, and mechanism of nanoporous germanium fabricated by dealloying

Includes: Supplementary data

Journal Articles

Guiding the design of oxidation-resistant Fe-based single atom alloy catalysts with insights from configurational space

Alyssa J. R. Hensley, Greg Collinge, Yong Wang, Jean-Sabin McEwen

J. Chem. Phys. 154, 174709 (2021)

https://doi.org/10.1063/5.0048698

Published: May 2021

View article titled, Guiding the design of oxidation-resistant Fe-based single atom alloy catalysts with insights from configurational space

Includes: Supplementary data

Journal Articles

Atomic force microscopy: Emerging illuminated and operando techniques for solar fuel research

Weilai Yu, Harold J. Fu, Thomas Mueller, Bruce S. Brunschwig, Nathan S. Lewis

J. Chem. Phys. 153, 020902 (2020)

https://doi.org/10.1063/5.0009858

Published: July 2020

View article titled, Atomic force microscopy: Emerging illuminated and operando techniques for solar fuel research

NARROW

Topics

Comparative analysis of surface phase diagrams in aqueous environment: Implicit vs explicit solvation models

Suppression of cracking in drying colloidal suspensions with chain-like particles

Wafer-scale development, characterization, and high temperature stabilization of epitaxial Cr₂O₃ films grown on Ru(0001)

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

Experimental and fluid flow simulation studies of laser-electrochemical hybrid manufacturing of micro–nano symbiotic superamphiphobic surfaces

BAMline—A real-life sample materials research beamline

Effect of the solvent quadrupolarizability on the strength of the hydrogen bond: Theory vs data for the Gibbs energy and enthalpy of homo- and heteroassociation between carboxylic acids and water

The kinetics of the PuO₂ to Pu₂O₃ conversion

Analytical model for ionic current dominated corrosion of nanoelectrodes in metalized films: Frequency and electric stress

Computational description of surface hydride phases on Pt(111) electrodes

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

Molecular dynamics study of structure and reactions at the hydroxylated Mg(0001)/bulk water interface

Constant-potential molecular dynamics simulations of molten salt double layers for FLiBe and FLiNaK

Screening of bimetallic electrocatalysts for water purification with machine learning

Structure and interactions at the Mg(0001)/water interface: An ab initio study

Modeling magnesium surfaces and their dissolution in an aqueous environment using an implicit solvent model

A first-principles study of hydrogen surface coverage on δ-Pu (100), (111), and (110) surfaces

Formation, lithium storage properties, and mechanism of nanoporous germanium fabricated by dealloying

Guiding the design of oxidation-resistant Fe-based single atom alloy catalysts with insights from configurational space

Atomic force microscopy: Emerging illuminated and operando techniques for solar fuel research

Resources

Explore

pubs.aip.org

Connect with AIP Publishing

Resources

Explore

pubs.aip.org

Connect with AIP Publishing

This Feature Is Available To Subscribers Only