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Journal Articles

Cocatalyst activity mapping for photocatalytic materials revealed by the pattern-illumination time-resolved phase microscopy

Yuta Egawa, Kei Kawaguchi, Zhenhua Pan, Kenji Katayama
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 164705 (2024)
https://doi.org/10.1063/5.0203491
Published: April 2024
View article titled, Cocatalyst activity mapping for photocatalytic materials revealed by the pattern-illumination time-resolved phase microscopy
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Includes: Supplementary data
Journal Articles

Open-boundary cluster model with a parameter-free complex absorbing potential

Kosuke Imamura, Tomokazu Yasuike, Hirofumi Sato
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 034103 (2024)
https://doi.org/10.1063/5.0184571
Published: January 2024
View article titled, Open-boundary cluster model with a parameter-free complex absorbing potential
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Journal Articles

Chemical physics of electrochemical energy materials

Lin Zhuang, Yongyao Xia, Qiang Zhang, Hyungjun Kim
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 190401 (2023)
https://doi.org/10.1063/5.0177115
Published: November 2023
View article titled, Chemical physics of electrochemical energy materials
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Journal Articles

Water adsorption on lead dioxide from ab initio molecular dynamics simulations

Yoshiyuki Kubota
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 134718 (2023)
https://doi.org/10.1063/5.0143220
Published: April 2023
View article titled, Water adsorption on lead dioxide from <em>ab initio</em> molecular dynamics simulations
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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

Innate dynamics and identity crisis of a metal surface unveiled by machine learning of atomic environments

Matteo Cioni, Daniela Polino, Daniele Rapetti, Luca Pesce, Massimo Delle Piane, Giovanni M. Pavan
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 124701 (2023)
https://doi.org/10.1063/5.0139010
Published: March 2023
View article titled, Innate dynamics and identity crisis of a metal surface unveiled by machine learning of atomic environments
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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

Tuning the electronic band structure of metal surfaces for enhancing high-order harmonic generation

Hicham Agueny
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 244702 (2021)
https://doi.org/10.1063/5.0049532
Published: June 2021
View article titled, Tuning the electronic band structure of metal surfaces for enhancing high-order harmonic generation
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Includes: Supplementary data
Journal Articles

Impact of surface state on polyethylene glycol conformation confined inside a nanopore

Nicolas Arroyo, Sebastien Balme, Fabien Picaud
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 104901 (2021)
https://doi.org/10.1063/5.0040170
Published: March 2021
View article titled, Impact of surface state on polyethylene glycol conformation confined inside a nanopore
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Journal Articles

(Dis)Similarities of adsorption of diverse functional groups over alumina and hematite depending on the surface state

Sarah Blanck, Carles Martí, Sophie Loehlé, Stephan N. Steinmann, Carine Michel
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 084701 (2021)
https://doi.org/10.1063/5.0038412
Published: February 2021
View article titled, (Dis)Similarities of adsorption of diverse functional groups over alumina and hematite depending on the surface state
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Includes: Supplementary data
Journal Articles

Atomic and electronic structure of cesium lead triiodide surfaces

Azimatu Seidu, Marc Dvorak, Patrick Rinke, Jingrui Li
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 074712 (2021)
https://doi.org/10.1063/5.0035448
Published: February 2021
View article titled, Atomic and electronic structure of cesium lead triiodide surfaces
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Includes: Supplementary data