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Reactivity of anatase (001) surface from first-principles many-body Green's function theory

The anatase (001) surface has attracted a lot of interest in surface science due to its excellent performance. However, its reactivity is under debate since it can undergo a (1 × 4) reconstruction. Herein, we applied the many-body Green's function theory to investigate the electronic properties...

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Detalles Bibliográficos
Autores principales: Jin, Fan, Zhao, Zhichao
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9530998/
https://www.ncbi.nlm.nih.gov/pubmed/36320267
http://dx.doi.org/10.1039/d2ra05058g