Structures, mobility and electronic properties of point defects in arsenene, antimonene and an antimony arsenide alloy

2017 ◽  
Vol 5 (17) ◽  
pp. 4159-4166 ◽  
Author(s):  
Xiaotian Sun ◽  
Yunxia Liu ◽  
Zhigang Song ◽  
Yongdan Li ◽  
Weizhou Wang ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Structural Stability ◽  
Point Defects ◽  
Typical Point

We investigate the structural stability, mobility and electronic properties of typical point defects in 2D arsenene, antimonene and antimony arsenide.

Germanene: a new electronic gas sensing material

RSC Advances ◽  
2016 ◽  
Vol 6 (104) ◽  
pp. 102264-102271 ◽  
Author(s):  
Sanjeev K. Gupta ◽  
Deobrat Singh ◽  
Kaptansinh Rajput ◽  
Yogesh Sonvane
Keyword(s):  
Density Functional Theory ◽  
Ab Initio ◽  
Electronic Properties ◽  
Structural Stability ◽  
Density Functional ◽  
Gas Sensing ◽  
Functional Theory ◽  
Adsorption Characteristics ◽  
Sensing Material ◽  
Gas Molecules

The structural stability and electronic properties of the adsorption characteristics of several toxic gas molecules (NH3, SO2 and NO2) on a germanene monolayer were investigated using density functional theory (DFT) based on an ab initio method.

The Structural and Electronic Properties of Carbon-related Point Defects on 4H-SiC (0001) Surface

2022 ◽  
pp. 152461
Author(s):  
Shengsheng Wei ◽  
Zhipeng Yin ◽  
Jiao Bai ◽  
Weiwei Xie ◽  
Fuwen Qin ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Point Defects ◽  
Structural And Electronic Properties ◽  
Related Point

Thermodynamics, kinetics and electronic properties of point defects in β-FeSi2

2019 ◽  
Vol 21 (20) ◽  
pp. 10497-10504 ◽  
Author(s):  
Jun Chai ◽  
Chen Ming ◽  
Xiaolong Du ◽  
Pengfei Qiu ◽  
Yi-Yang Sun ◽  
...  
Keyword(s):  
Band Gap ◽  
Electronic Properties ◽  
Point Defects ◽  
Systematic Study ◽  
Wide Temperature Range ◽  
Semiconductor Material ◽  
Temperature Range ◽  
Earth Abundant

β-FeSi2, a semiconductor material made of two of the most earth-abundant elements, has important applications in thermoelectrics, photovoltaics and optoelectronics owing to its attractive properties such as suitable band gap and air stability over a wide temperature range. In this paper, we present a systematic study on point defects in this material.

On the influence of point defects on the structural and electronic properties of graphene-like sheets: a molecular simulation study

2012 ◽  
Vol 19 (2) ◽  
pp. 839-846 ◽  
Author(s):  
Ernesto Chigo Anota ◽  
Alejandro Escobedo-Morales ◽  
Martin Salazar Villanueva ◽  
Odilon Vázquez-Cuchillo ◽  
Efrain Rubio Rosas
Keyword(s):  
Electronic Properties ◽  
Molecular Simulation ◽  
Point Defects ◽  
Simulation Study ◽  
Structural And Electronic Properties
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