Effect of Te doping in SnO2 in Sn and O sites: A DFT study

被引：0

作者：

Shekhawat, Pushpendra Singh ^{[1
]}

Sharma, Neha ^{[1
]}

Dwivedi, Umesh K. ^{[1
]}

Singh, Mukhtiyar ^{[2
]}

Choudhury, Sandip Paul ^{[1
]}

机构：

[1] Amity Univ Rajasthan, Amity Sch Appl Sci, NH-11C, Jaipur 303002, Rajasthan, India

[2] Delhi Technol Univ, Dept Appl Phys, Delhi 110042, India

来源：

MODERN PHYSICS LETTERS B | 2024年 / 38卷 / 21期

关键词：

DFT; electronic property; bandgap; GAP;

D O I：

10.1142/S0217984923420083

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

In this work, we have studied the electronic properties of SnO2 by employing the density functional theory. The aim of the work is to study the comparative effect of Te doping in SnO2 in Sn and O sites. The CASTEP module is used for the simulation. 2 x 2 x 2 lattice of SnO2 was used for the study of the band structure and density of state. The electronic properties change significantly on doping the sample with Te. Also, when Te is doped in different quantities and at different sites in SnO2, the bandgap is overlapped in 0.75% Te doping at O site and the maximum is found to be 0.587 eV in 0.75% Te doping at Sn site. For pure SnO2, the bandgap is 1.064. Hence SnO2 when doped with Te influences the conductivity.

引用

页数：12

共 50 条

[31] The effect of Cu doping on LPG response of the SnO2 nanostructure layer
Mirsalary, Seyyedeh Esmat
Iranizad, Esmaiel Saievar
ULTRAFINE GRAINED AND NANO-STRUCTURED MATERIALS IV, 2014, 829 : 391 - 395
[32] SnO2 nanocluster interaction with noble and environmental gases: a DFT study
Mudar Ahmed Abdulsattar
Rashid Hashim Jabbar
Husham M. Fadhel
Suaad Abbas Alkharkhe
Structural Chemistry, 2022, 33 : 71 - 79
[33] Effect of Co doping on optical parameters of SnO2 thin films
Gurakar, Sibel
Serin, Tulay
OPTICAL MATERIALS, 2021, 111 (111)
[34] Effect of SNO2 doping on the Performance of TiO2-based Varistor
Li, Zhixiang
Xu, Gaojie
Li, Yong
Wang, Qin
Sun, Aihua
Duan, Lei
Li, Yali
Jiang, Jun
RARE METAL MATERIALS AND ENGINEERING, 2007, 36 : 177 - 180
[35] Effect of heavy Ga doping on defect structure of SnO2 layers
Mogilatenko, Anna
Kirmse, Holm
Bierwagen, Oliver
Schmidbauer, Martin
Tsai, Min-Ying
Haeusler, Ines
White, Mark E.
Speck, James S.
PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE, 2014, 211 (01): : 87 - 92
[36] Study of the Effect of Al and In Doping on the Structural, Optical, and Electrical Properties of Sprayed SnO2 Films
Soussi, Lahcen
Rmili, Ahmed
Erguig, Hassane
Elidrissi, Bachir
Louardi, Ahmed
Garmim, Toufiq
El Bachiri, Abdelhadi
Karzazi, Ouiame
PROCEEDINGS OF 2019 7TH INTERNATIONAL RENEWABLE AND SUSTAINABLE ENERGY CONFERENCE (IRSEC), 2019, : 67 - 71
[37] DFT study of H2O adsorption on TiO2 (110) and SnO2 (110) surfaces
Sahoo, Suman Kalyan
Nigam, Sandeep
Sarkar, Pranab
Majumder, Chiranjib
SOLID STATE PHYSICS, VOL 57, 2013, 1512 : 292 - 293
[38] Study on Formaldehyde Gas Sensor Based on SnO2 with La2O3-ZnO Doping
Baofu Quan Fengmin Liu Ruzheng Liu Lihua Chen Yuehua He Biao Wang (College of Electronic Science and Engineering
稀有金属材料与工程, 2006, (S3) : 129 - 131
[39] Study on formaldehyde gas sensor based on SnO2 with La2O3-ZnO doping
Quan, Baofu
Liu, Fengmin
Liu, Ruzheng
Chen, Lihua
He, Yuehua
Wang, Biao
RARE METAL MATERIALS AND ENGINEERING, 2006, 35 : 129 - 131
[40] MICROCALORIMETRIC STUDY OF THE INTERACTION OF CO, O-2 AND CO + O-2 WITH PT/SNO2 AND SNO2 CATALYSTS
GANGAL, ND
GUPTA, NM
IYER, RM
JOURNAL OF CATALYSIS, 1990, 126 (01) : 13 - 25

← 1 2 3 4 5 →