Spatial correlation of desorption events accelerates water exchange dynamics at Pt/water interfaces.

Fei-Teng Wang, Jia-Xin Zhu, Chang Liu, Ke Xiong, Xiandong Liu, Jun Cheng

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Article in Chemical science, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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4 · The record

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5 · Who and what money

Authors and funding

6 authors.

Fei-Teng WangState Key Laboratory of Physical Chemistry of Solid Surfaces, iChEM, College of Chemistry and Chemical Engineering, Xiamen University Xiamen 361005 China chengjun@xmu.edu.cn.

Jia-Xin ZhuState Key Laboratory of Physical Chemistry of Solid Surfaces, iChEM, College of Chemistry and Chemical Engineering, Xiamen University Xiamen 361005 China chengjun@xmu.edu.cn.ORCID https://orcid.org/0000-0002-3471-4728

Chang LiuState Key Laboratory of Physical Chemistry of Solid Surfaces, iChEM, College of Chemistry and Chemical Engineering, Xiamen University Xiamen 361005 China chengjun@xmu.edu.cn.

Ke XiongState Key Laboratory of Physical Chemistry of Solid Surfaces, iChEM, College of Chemistry and Chemical Engineering, Xiamen University Xiamen 361005 China chengjun@xmu.edu.cn.

Xiandong LiuState Key Laboratory for Mineral Deposits Research, School of Earth Sciences and Engineering, Nanjing University Nanjing Jiangsu 210023 P. R. China xiandongliu@nju.edu.cn.ORCID https://orcid.org/0000-0003-3966-3998

Jun ChengState Key Laboratory of Physical Chemistry of Solid Surfaces, iChEM, College of Chemistry and Chemical Engineering, Xiamen University Xiamen 361005 China chengjun@xmu.edu.cn.ORCID https://orcid.org/0000-0001-6971-0797

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

The altered solvation structures and dynamical properties of water molecules at the metal/water interfaces will affect the elementary step of an electrochemical process. Simulating the interfacial structure and dynamics with a realistic representation will provide us with a solid foundation to make a connection with experimental studies. To surmount the accuracy-efficiency tradeoff and provide dynamical insights, we use state-of-the-art machine learning molecular dynamics (MLMD) to study the water exchange dynamics, which are fundamental to adsorption/desorption and electrochemical reaction steps. We reproduce interfacial structures consistent with

Identifiers

PMID39776653

DOI10.1039/d4sc06967f

PMCPMC11701835

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