Article
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Silicon Allotropes, Tetragonal-Body-Centered (Bct), Mixed
Version 1
: Received: 13 July 2024 / Approved: 15 July 2024 / Online: 15 July 2024 (15:01:31 CEST)
How to cite: Escobar Martín, D. Silicon Allotropes, Tetragonal-Body-Centered (Bct), Mixed. Preprints 2024, 2024071219. https://doi.org/10.20944/preprints202407.1219.v1 Escobar Martín, D. Silicon Allotropes, Tetragonal-Body-Centered (Bct), Mixed. Preprints 2024, 2024071219. https://doi.org/10.20944/preprints202407.1219.v1
Abstract
In this work, we will study at a basic level, a series of possible new three-dimensional monoclinic allotropes of silicon, with sp3 hybridization, of the bct type; where hexahedrons and octahedrons are combined, with other cluster shapes, with basic silicon geometries such as: triangles ( Si3 ), squares ( Si4 ), pentagons ( Si5 ) and hexagons ( Si6 ); similar to two-dimensional, sp2 hybridized graphene allotropes. Calculating its electron density, bandgap energy and electronic mobility.
Keywords
alótropos; materiales; semiconductores
Subject
Chemistry and Materials Science, Theoretical Chemistry
Copyright: This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
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