New two-dimensional zinc oxide nanosheets: Properties, stability, and interconversion

• Autor(a) principal: Fabris, Guilherme S.L. [UNESP]
• Data de Publicação: 2020
• Outros Autores: Marana, Naiara L. [UNESP], Laranjeira, José A.S. [UNESP], Longo, Elson, Sambrano, Julio R. [UNESP]
• Tipo de documento: Artigo
• Idioma: eng
• Título da fonte: Repositório Institucional da UNESP
• Texto Completo: http://dx.doi.org/10.1016/j.matlet.2020.128067; http://hdl.handle.net/11449/198987
• topic: Graphene-like; Graphenylene-like; Nanosheets; Zinc oxide; ZnO surfaces

For the first time, 2D symmetric hydrogenated zinc oxide (H-gZnO) and inorganic graphenylene-like zinc oxide (IGP-ZnO) nanosheets have been proposed computationally. Both nanosheets show be stable, and they retain the semiconducting properties. A van der Waals interaction between the hydrogen atoms on H-gZnO is found. It was theoretically demonstrated that the dehydrogenation of H-gZnO leads to spontaneously convert to the IGP-ZnO. The structural differences between 2D nanosheets can lead to different applications. This theoretical prediction is open to experimentalists and other theoreticians for further studies.