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Step-induced double-row pattern of interfacial water on rutile TiO2(110) under electrochemical conditions.
Sun, Yan; Wu, Cheng-Rong; Wang, Feng; Bi, Rui-Hao; Zhuang, Yong-Bin; Liu, Shuai; Chen, Ming-Shu; Zhang, Kelvin H-L; Yan, Jia-Wei; Mao, Bing-Wei; Tian, Zhong-Qun; Cheng, Jun.
Afiliação
  • Sun Y; State Key Laboratory of Physical Chemistry of Solid Surfaces, iChEM, College of Chemistry and Chemical Engineering, Xiamen University Xiamen 361005 China kelvinzhang@xmu.edu.cn jwyan@xmu.edu.cn chengjun@xmu.edu.cn.
  • Wu CR; State Key Laboratory of Physical Chemistry of Solid Surfaces, iChEM, College of Chemistry and Chemical Engineering, Xiamen University Xiamen 361005 China kelvinzhang@xmu.edu.cn jwyan@xmu.edu.cn chengjun@xmu.edu.cn.
  • Wang F; State Key Laboratory of Physical Chemistry of Solid Surfaces, iChEM, College of Chemistry and Chemical Engineering, Xiamen University Xiamen 361005 China kelvinzhang@xmu.edu.cn jwyan@xmu.edu.cn chengjun@xmu.edu.cn.
  • Bi RH; State Key Laboratory of Physical Chemistry of Solid Surfaces, iChEM, College of Chemistry and Chemical Engineering, Xiamen University Xiamen 361005 China kelvinzhang@xmu.edu.cn jwyan@xmu.edu.cn chengjun@xmu.edu.cn.
  • Zhuang YB; State Key Laboratory of Physical Chemistry of Solid Surfaces, iChEM, College of Chemistry and Chemical Engineering, Xiamen University Xiamen 361005 China kelvinzhang@xmu.edu.cn jwyan@xmu.edu.cn chengjun@xmu.edu.cn.
  • Liu S; State Key Laboratory of Physical Chemistry of Solid Surfaces, iChEM, College of Chemistry and Chemical Engineering, Xiamen University Xiamen 361005 China kelvinzhang@xmu.edu.cn jwyan@xmu.edu.cn chengjun@xmu.edu.cn.
  • Chen MS; State Key Laboratory of Physical Chemistry of Solid Surfaces, iChEM, College of Chemistry and Chemical Engineering, Xiamen University Xiamen 361005 China kelvinzhang@xmu.edu.cn jwyan@xmu.edu.cn chengjun@xmu.edu.cn.
  • Zhang KH; State Key Laboratory of Physical Chemistry of Solid Surfaces, iChEM, College of Chemistry and Chemical Engineering, Xiamen University Xiamen 361005 China kelvinzhang@xmu.edu.cn jwyan@xmu.edu.cn chengjun@xmu.edu.cn.
  • Yan JW; State Key Laboratory of Physical Chemistry of Solid Surfaces, iChEM, College of Chemistry and Chemical Engineering, Xiamen University Xiamen 361005 China kelvinzhang@xmu.edu.cn jwyan@xmu.edu.cn chengjun@xmu.edu.cn.
  • Mao BW; State Key Laboratory of Physical Chemistry of Solid Surfaces, iChEM, College of Chemistry and Chemical Engineering, Xiamen University Xiamen 361005 China kelvinzhang@xmu.edu.cn jwyan@xmu.edu.cn chengjun@xmu.edu.cn.
  • Tian ZQ; State Key Laboratory of Physical Chemistry of Solid Surfaces, iChEM, College of Chemistry and Chemical Engineering, Xiamen University Xiamen 361005 China kelvinzhang@xmu.edu.cn jwyan@xmu.edu.cn chengjun@xmu.edu.cn.
  • Cheng J; Laboratory of AI for Electrochemistry (AI4EC), IKKEM Xiamen 361005 China.
Chem Sci ; 15(31): 12264-12269, 2024 Aug 07.
Article em En | MEDLINE | ID: mdl-39118606
ABSTRACT
Metal oxides are promising (photo)electrocatalysts for sustainable energy technologies due to their good activity and abundant resources. Their applications such as photocatalytic water splitting predominantly involve aqueous interfaces under electrochemical conditions, but in situ probing oxide-water interfaces is proven to be extremely challenging. Here, we present an electrochemical scanning tunneling microscopy (EC-STM) study on the rutile TiO2(110)-water interface, and by tuning surface redox chemistry with careful potential control we are able to obtain high quality images of interfacial structures with atomic details. It is interesting to find that the interfacial water exhibits an unexpected double-row pattern that has never been observed. This finding is confirmed by performing a large scale simulation of a stepped interface model enabled by machine learning accelerated molecular dynamics (MLMD) with ab initio accuracy. Furthermore, we show that this pattern is induced by the steps present on the surface, which can propagate across the terraces through interfacial hydrogen bonds. Our work demonstrates that by combining EC-STM and MLMD we can obtain new atomic details of interfacial structures that are valuable to understand the activity of oxides under realistic conditions.
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Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2024 Tipo de documento: Article
Texto completo
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XML
PubMed Links
Buscar no Google

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2024 Tipo de documento: Article