Structural and electronic properties of SnO 2 doped with non-metal elements

Jianyuan Yu
Jianyuan Yu
Yingeng Wang
Yingeng Wang
Xiuwen Wang
Xiuwen Wang
Jing Guo
Jing Guo

Beilstein journal of nanotechnology, pp. 1321-1328, 2020.

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Keywords:
density functional theory (DFT)doped SnO2electronic structureoptical properties

Abstract:

Crystal structure and electronic properties of SnO doped with non-metal elements (F, S, C, B, and N) were studied using first-principles calculations. The theoretical results show that doping of non-metal elements cannot change the structure of SnO but result in a slight expansion of the lattice volume. The most obvious finding from the a...More

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