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Stacking engineering induced Z-scheme MoSSe/WSSe heterostructure for photocatalytic water splitting.
Ren, Longjun; Liu, Zongfa; Ma, Zhen; Ren, Kai; Cui, Zhen; Mu, Weihua.
Afiliación
  • Ren L; School of Mechanical Engineering, Wanjiang University of Technology, Maanshan, China.
  • Liu Z; School of Automotive Engineering, Weifang Vocational College, Weifang, China.
  • Ma Z; School of Agricultural Engineering, Jiangsu University, Zhenjiang, China.
  • Ren K; School of Mechanical and Electronic Engineering, Nanjing Forestry University, Nanjing, China.
  • Cui Z; Medical Oncology, Luoyang Central Hospital, Luoyang, China.
  • Mu W; School of Automation and Information Engineering, Xi'an University of Technology, Xi'an, Shaanxi, China.
Front Chem ; 12: 1425306, 2024.
Article en En | MEDLINE | ID: mdl-39006489
ABSTRACT
Stacking engineering is a popular method to tune the performance of two-dimensional materials for advanced applications. In this work, Jansu MoSSe and WSSe monolayers are constructed as a van der Waals (vdWs) heterostructure by different stacking configurations. Using first-principle calculations, all the relaxed stacking configurations of the MoSSe/WSSe heterostructure present semiconductor properties while the direct type-II band structure can be obtained. Importantly, the Z-scheme charge transfer mode also can be addressed by band alignment, which shows the MoSSe/WSSe heterostructure is an efficient potential photocatalyst for water splitting. In addition, the built-in electric field of the MoSSe/WSSe vdWs heterostructure can be enhanced by the S-Se interface due to further asymmetric structures, which also results in considerable charge transfer comparing with the MoSSe/WSSe vdWs heterostructure built by the S-S interface. Furthermore, the excellent optical performances of the MoSSe/WSSe heterostructure with different stacking configurations are obtained. Our results provide a theoretical guidance for the design and control of the two-dimensional heterostructure as photocatalysts through structural stacking.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Front Chem Año: 2024 Tipo del documento: Article País de afiliación: China Pais de publicación: Suiza
Texto completo
Añadir a Mi BVS
Imprimir
XML
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Front Chem Año: 2024 Tipo del documento: Article País de afiliación: China Pais de publicación: Suiza