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(Reference retrieved automatically from Web of Science through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

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

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Fabris, Guilherme S. L. [1, 2] ; Marana, Naiara L. [1] ; Laranjeira, Jose A. S. [1] ; Longo, Elson [3] ; Sambrano, Julio R. [1]
Total Authors: 5
[1] Sao Paulo State Univ, UNESP, Modeling & Mol Simulat Grp, Bauru, SP - Brazil
[2] Univ Fed Rio Grande do Norte, Mat Sci & Engn Postgrad Program, Natal, RN - Brazil
[3] Univ Fed Sao Carlos, Chem Inst CDMF, Sao Carlos, SP - Brazil
Total Affiliations: 3
Document type: Journal article
Source: Materials Letters; v. 275, SEP 15 2020.
Web of Science Citations: 0

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. (C) 2020 Elsevier B.V. All rights reserved. (AU)

FAPESP's process: 19/08928-9 - Modeling and simulations of porous inorganic nanotubes functionalization
Grantee:Julio Ricardo Sambrano
Support type: Regular Research Grants
FAPESP's process: 13/07296-2 - CDMF - Center for the Development of Functional Materials
Grantee:Elson Longo da Silva
Support type: Research Grants - Research, Innovation and Dissemination Centers - RIDC
FAPESP's process: 19/12430-6 - Computational study of properties of pure and functionalized multiwalled nanotubes
Grantee:Naiara Letícia Marana
Support type: Scholarships abroad - Research Internship - Post-doctor