Formation Energy of Intrinsic and Impurity Defects in Tin Dioxide

被引：2

作者：

Hunanyan, A. A. ^{[1
]}

Aghamalyan, M. A. ^{[1
]}

Aroutiounian, V. M. ^{[1
]}

Zakaryan, H. A. ^{[1
]}

机构：

[1] Yerevan State Univ, Yerevan, Armenia

来源：

JOURNAL OF CONTEMPORARY PHYSICS-ARMENIAN ACADEMY OF SCIENCES | 2019年 / 54卷 / 03期

关键词：

gas sensors; DFT; tin dioxide; cobalt doping; defects; HYDROGEN; SENSORS; SNO2;

D O I：

10.3103/S1068337219030083

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Defects in the tin dioxide determine its main characteristics, which are widely used in gas sensors. In the tin dioxide, the native and impurity defects were investigated using the density functional theory. It was shown that the oxygen vacancies dominate between the uncharged defects and the cobalt atoms occupy the places of tin atoms in the case of the cobalt doping. The found defects structures explain the contradictory experimental results obtained previously.

引用

页码：282 / 286

页数：5

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