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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

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
Journal: The Journal of Chemical Physics
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
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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
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 244202 (2023)
https://doi.org/10.1063/5.0157194
Published: June 2023
View article titled, BAM<em>line</em>—A real-life sample materials research beamline
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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
Journal: The Journal of Chemical Physics
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
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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
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 134703 (2023)
https://doi.org/10.1063/5.0145400
Published: April 2023
View article titled, The kinetics of the PuO<sub>2</sub> to Pu<sub>2</sub>O<sub>3</sub> conversion
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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
Journal: The Journal of Chemical Physics
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
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Journal Articles

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

Selwyn Hanselman, Federico Calle-Vallejo, Marc T. M. Koper
Journal: The Journal of Chemical Physics
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
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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

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

R. M. Fogarty, A. P. Horsfield
Journal: The Journal of Chemical Physics
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
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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
Journal: The Journal of Chemical Physics
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
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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
Journal: The Journal of Chemical Physics
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
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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
Journal: The Journal of Chemical Physics
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 <em>ab initio</em> study
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Includes: Supplementary data
Journal Articles

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

Alex Aziz, Javier Carrasco
Journal: The Journal of Chemical Physics
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
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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
Journal: The Journal of Chemical Physics
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 <em>δ</em>-Pu (100), (111), and (110) surfaces
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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
Journal: The Journal of Chemical Physics
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
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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
Journal: The Journal of Chemical Physics
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
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Includes: Supplementary data
Journal Articles

Spectroscopic imaging of surfaces—Sum frequency generation microscopy (SFGM) combined with compressive sensing (CS) technique

Hao Li, Kevin F. Kelly, Steven Baldelli
Journal: The Journal of Chemical Physics
J. Chem. Phys. 153, 190901 (2020)
https://doi.org/10.1063/5.0022691
Published: November 2020
View article titled, Spectroscopic imaging of surfaces—Sum frequency generation microscopy (SFGM) combined with compressive sensing (CS) technique
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Journal Articles

Addressing the sensitivity of signals from solid/liquid ambient pressure XPS (APXPS) measurement

Jin Qian, Artem Baskin, Zhi Liu, David Prendergast, Ethan J. Crumlin
Journal: The Journal of Chemical Physics
J. Chem. Phys. 153, 044709 (2020)
https://doi.org/10.1063/5.0006242
Published: July 2020
View article titled, Addressing the sensitivity of signals from solid/liquid ambient pressure XPS (APXPS) measurement
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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
Journal: The Journal of Chemical Physics
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 <em>operando</em> techniques for solar fuel research
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Journal Articles

Reddish GaN:ZnO photoelectrode for improved photoelectrochemical solar water splitting

Zhiliang Wang, Hengming Huang, Sabiha Akter Monny, Mu Xiao, Lianzhou Wang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 153, 024706 (2020)
https://doi.org/10.1063/5.0010722
Published: July 2020
View article titled, Reddish GaN:ZnO photoelectrode for improved photoelectrochemical solar water splitting
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Includes: Supplementary data