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Journal Articles

Ions at electrochemical interfaces: From explicit to implicit molecular solvent descriptions

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Swetha Nair, Guillaume Jeanmairet, Benjamin Rotenberg
Journal: The Journal of Chemical Physics
J. Chem. Phys. 163, 014107 (2025)
https://doi.org/10.1063/5.0270981
Published: July 2025
View articletitled, Ions at electrochemical interfaces: From explicit to implicit molecular solvent descriptions
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Journal Articles

Computational analysis of the spatial distributions of low-energy electrons generated via water photolysis and photoinjection into electrodes in water

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Takeshi Kai, Tomohiro Toigawa, Yusuke Matsuya, Yuho Hirata, Hidetsugu Tsuchida, Akinari Yokoya
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 154102 (2025)
https://doi.org/10.1063/5.0252783
Published: April 2025
View articletitled, Computational analysis of the spatial distributions of low-energy electrons generated via water photolysis and photoinjection into electrodes in water
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Journal Articles

In situ and operando characterization: Advancing our understanding of functional materials

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Mischa Bonn, Katrin F. Domke, Marialore Sulpizi, Charles McCrory, Zhangquan Peng
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 140402 (2025)
https://doi.org/10.1063/5.0270688
Published: April 2025
View articletitled, In situ and operando characterization: Advancing our understanding of functional materials
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Journal Articles

Comment on “Interaction confinement and electronic screening in two-dimensional nanofluidic channels” [J. Chem. Phys. 157, 114703 (2022)]

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Alexei A. Kornyshev
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 137101 (2025)
https://doi.org/10.1063/5.0247294
Published: April 2025
View articletitled, Comment on “Interaction confinement and electronic screening in two-dimensional nanofluidic channels” [J. Chem. Phys. 157, 114703 (2022)]
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Journal Articles

Construction of high-performance sodium ion hybrid capacitors based on MXene surface modulation and electrolyte matching

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Jiangtao Chen, Ting Wang, Yirun Zhu, Xu Zhang, Juan Yang, Pengjun Ma, Bingjun Yang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 124713 (2025)
https://doi.org/10.1063/5.0256598
Published: March 2025
View articletitled, Construction of high-performance sodium ion hybrid capacitors based on MXene surface modulation and electrolyte matching
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Journal Articles

Efficient method for simulating ionic fluids between polarizable metal electrodes

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Igor M. Telles, Alexandre P. dos Santos, Yan Levin
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 214102 (2024)
https://doi.org/10.1063/5.0233310
Published: December 2024
View articletitled, Efficient method for simulating ionic fluids between polarizable metal electrodes
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Journal Articles

Role of cavity strong coupling on single electron transfer reaction rate at electrode–electrolyte interface

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Takahiro Hayashi, Tomohiro Fukushima, Kei Murakoshi
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 181101 (2024)
https://doi.org/10.1063/5.0231477
Published: November 2024
View articletitled, Role of cavity strong coupling on single electron transfer reaction rate at electrode–electrolyte interface
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Journal Articles

On the mechanism for work function change of gold electrodes by ultrathin polyethyleneimine (PEI) films: Effect of molecular order

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Claudia S. G. Ferreira, Marcos S. Sousa, Florian S. Günther, Paulo B. Miranda
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 174709 (2024)
https://doi.org/10.1063/5.0234654
Published: November 2024
View articletitled, On the mechanism for work function change of gold electrodes by ultrathin polyethyleneimine (PEI) films: Effect of molecular order
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Journal Articles

Effect of current collector on the coupled electro-chemo-mechanical performance of graphite electrodes in LiBs

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Xiaolin Li, Jiahui Liu, Honghui Gu, Hainan Jiang, Linlin Song, Yaolong He, Dawei Li
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 154710 (2024)
https://doi.org/10.1063/5.0233210
Published: October 2024
View articletitled, Effect of current collector on the coupled electro-chemo-mechanical performance of graphite electrodes in LiBs
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Journal Articles

Enhanced analog switching and neuromorphic performance of ZnO-based memristors with indium tin oxide electrodes for high-accuracy pattern recognition

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Muhammad Ismail, Maria Rasheed, Yongjin Park, Sohyeon Lee, Chandreswar Mahata, Wonbo Shim, Sungjun Kim
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 134702 (2024)
https://doi.org/10.1063/5.0233031
Published: October 2024
View articletitled, Enhanced analog switching and neuromorphic performance of ZnO-based memristors with indium tin oxide electrodes for high-accuracy pattern recognition
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Journal Articles

Intraband cascade electroluminescence with weakly n-doped HgTe colloidal quantum dots

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Xingyu Shen, Augustin Caillas, Philippe Guyot-Sionnest
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 124703 (2024)
https://doi.org/10.1063/5.0225746
Published: September 2024
View articletitled, Intraband cascade electroluminescence with weakly n-doped HgTe colloidal quantum dots
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Journal Articles

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

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Alexander Reinauer, Svyatoslav Kondrat, Christian Holm
Journal: The Journal of Chemical Physics
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
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Journal Articles

Selective adsorption of divalent and trivalent cations in porous electrodes

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Yusuke Kawai, Yuji Yamamoto, Kenji Kiyohara
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 094701 (2024)
https://doi.org/10.1063/5.0222272
Published: September 2024
View articletitled, Selective adsorption of divalent and trivalent cations in porous electrodes
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Journal Articles

Investigation into the impact of charging rates on the stress development within silicon composite electrodes

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Dawei Li, Hainan Jiang, Xiaolin Li, Jiahui Liu, Yaolong He, Yuejiu Zheng, Junqian Zhang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 034704 (2024)
https://doi.org/10.1063/5.0218688
Published: July 2024
View articletitled, Investigation into the impact of charging rates on the stress development within silicon composite electrodes
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Journal Articles

Dimeric vs bidimeric cells for molecular quantum cellular automata composed of oxidized norbornadiene and its polycyclic derivatives

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Andrew Palii, Valeria Belonovich, Sergey Aldoshin, Boris Tsukerblat
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 224301 (2024)
https://doi.org/10.1063/5.0214988
Published: June 2024
View articletitled, Dimeric vs bidimeric cells for molecular quantum cellular automata composed of oxidized norbornadiene and its polycyclic derivatives
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Journal Articles

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

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Hedda Oschinski, Nicolas Georg Hörmann, Karsten Reuter
Journal: The Journal of Chemical Physics
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
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Journal Articles

Hybrid mesoporous electrodes evidence CISS effect on water oxidation

Open Access
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 articletitled, Hybrid mesoporous electrodes evidence CISS effect on water oxidation
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Includes: Supplementary data
Journal Articles

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

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Kijeong Kwac, Nan Yang, Matthew J. Ryan, Martin T. Zanni, Minhaeng Cho
Journal: The Journal of Chemical Physics
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
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Includes: Supplementary data
Journal Articles

Polarization of disk electrodes in high-conductivity electrolyte solutions

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Kenneth K. Yamamoto, Anil Koklu, Ali Beskok, Vladimir S. Ajaev
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 054702 (2024)
https://doi.org/10.1063/5.0179083
Published: February 2024
View articletitled, Polarization of disk electrodes in high-conductivity electrolyte solutions
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Journal Articles

Anatomy of the dielectric behavior of methyl-m-toluate glasses during and after vapor deposition

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R. Richert, M. E. Tracy, A. Guiseppi-Elie, M. D. Ediger
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 034505 (2024)
https://doi.org/10.1063/5.0187166
Published: January 2024
View articletitled, Anatomy of the dielectric behavior of methyl-m-toluate glasses during and after vapor deposition
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