Stabilities and electronic properties of monolayer MoS2 with one or two sulfur line vacancy defects

2015 ◽  
Vol 17 (5) ◽  
pp. 3813-3819 ◽  
Author(s):  
Yang Han ◽  
Ting Hu ◽  
Rui Li ◽  
Jian Zhou ◽  
Jinming Dong
Keyword(s):  
Electronic Properties ◽  
Monolayer Mos2 ◽  
Vacancy Defects

Monolayer MoS2 with one (SV) or two (DV) staggered sulfur line vacancy defects in two different orientations.

Electronic properties of intrinsic vacancies in single-layer CaF2 and its heterostructure with monolayer MoS2

2021 ◽  
Vol 130 (5) ◽  
pp. 055301
Author(s):  
Zhenzhen Li ◽  
Mehmet Baskurt ◽  
Hasan Sahin ◽  
Shiwu Gao ◽  
Jun Kang
Keyword(s):  
Electronic Properties ◽  
Single Layer ◽  
Monolayer Mos2

scholarly journals Effect of Point Defects on Electronic Properties and Structure of Talc (001) Surface by First Principles

Minerals ◽  
2022 ◽  
Vol 12 (1) ◽  
pp. 69
Author(s):  
Xindi Ma ◽  
Huicong Du ◽  
Ping Lan ◽  
Jianhua Chen ◽  
Lihong Lan
Keyword(s):  
Electronic Properties ◽  
Density Functional ◽  
Surface States ◽  
State Density ◽  
Functional Theory ◽  
Vacancy Defects ◽  
Impurity Atoms ◽  
Electron State Density ◽  
Calculation Results ◽  
Impurity Defects

The surface structure and electronic properties of Mg vacancy defects on talc (001) and impurity defects with Fe, Mn, Ni, Al, and Ca replacing Mg atoms were calculated by using density functional theory. The calculation results show that the order of impurity substitution energy is Mn < Ni < Al < Ca < Fe. This indicates that Fe impurity defects are most easily formed in talc crystals. The covalent bonding between Si atoms and reactive oxygen atoms adjacent to impurity atoms is weakened and the ionic property is enhanced. The addition of Fe, Mn, and Ni atoms makes the surface of talc change from an insulator to a semiconductor and enhances its electrical conductivity. The analysis of electron state density shows that surface states composed of impurity atoms 4S orbital appear near the Fermi level.

scholarly journals The Effects of Atomic-Scale Strain Relaxation on the Electronic Properties of Monolayer MoS2

ACS Nano ◽  
2019 ◽  
Vol 13 (7) ◽  
pp. 8284-8291 ◽  
Author(s):  
Daniel J. Trainer ◽  
Yuan Zhang ◽  
Fabrizio Bobba ◽  
Xiaoxing Xi ◽  
Saw-Wai Hla ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Strain Relaxation ◽  
Atomic Scale ◽  
Monolayer Mos2

scholarly journals Atomically Sharp Crack Tips in Monolayer MoS2 and Their Enhanced Toughness by Vacancy Defects

ACS Nano ◽  
2016 ◽  
Vol 10 (11) ◽  
pp. 9831-9839 ◽  
Author(s):  
Shanshan Wang ◽  
Zhao Qin ◽  
Gang Seob Jung ◽  
Francisco J. Martin-Martinez ◽  
Kristine Zhang ◽  
...  
Keyword(s):  
Monolayer Mos2 ◽  
Vacancy Defects ◽  
Sharp Crack ◽  
Crack Tips

Atomic vacancy defects in the electronic properties of semi-metallic carbon nanotubes

2011 ◽  
Vol 109 (8) ◽  
pp. 083716 ◽  
Author(s):  
Hui Zeng ◽  
Jun Zhao ◽  
Huifang Hu ◽  
Jean-Pierre Leburton
Keyword(s):  
Carbon Nanotubes ◽  
Electronic Properties ◽  
Vacancy Defects ◽  
Atomic Vacancy
Sign in / Sign up

Export Citation Format

Share Document