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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.)

Inorganic Graphenylene: A Porous Two-Dimensional Material With Tunable Band Gap

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Perim, E. [1] ; Paupitz, R. [2] ; Autreto, P. A. S. [1] ; Galvao, D. S. [1]
Total Authors: 4
[1] Univ Estadual Campinas, Inst Fis Gleb Wataghin, BR-13083970 Campinas, SP - Brazil
[2] Univ Estadual Paulista, UNESP, Dept Fis, BR-13506900 Rio Claro, SP - Brazil
Total Affiliations: 2
Document type: Journal article
Source: Journal of Physical Chemistry C; v. 118, n. 41, p. 23670-23674, OCT 16 2014.
Web of Science Citations: 35

By means of ab initio calculations, we investigate the possibility of existence of a boron nitride (BN) porous two-dimensional nanosheet, which is geometrically similar to the carbon allotrope known as biphenylene carbon. The proposed structure, which we called inorganic graphenylene (IGP), is formed spontaneously after selective dehydrogenation of the porous boron nitride (BN) structure proposed by Ding et al. We study the structural and electronic properties of both porous BN and IGP, and it is shown that, by selective substitution of B and N atoms with carbon atoms in these structures, the band gap can be significantly reduced, changing their behavior from insulators to semiconductors, thus opening the possibility of band gap engineering for this class of two-dimensional materials. (AU)

FAPESP's process: 11/17253-3 - Dynamics of formation, electronic and structural properties of graphene and similar compounds
Grantee:Ricardo Paupitz Barbosa dos Santos
Support type: Regular Research Grants
FAPESP's process: 13/08293-7 - CCES - Center for Computational Engineering and Sciences
Grantee:Munir Salomao Skaf
Support type: Research Grants - Research, Innovation and Dissemination Centers - RIDC