Tunable Electronic Properties of Two-Dimensional Transition Metal Dichalcogenide Alloys: A First-Principles Prediction

2013 ◽  
Vol 5 (2) ◽  
pp. 285-291 ◽  
Author(s):  
Jinyang Xi ◽  
Tianqi Zhao ◽  
Dong Wang ◽  
Zhigang Shuai
Keyword(s):  
Transition Metal ◽  
Electronic Properties ◽  
First Principles ◽  
Transition Metal Dichalcogenide ◽  
Two Dimensional

Investigation of magnetic and electronic properties of transition metal doped Sc2CT2(T = O, OH or F) using a first principles study

2016 ◽  
Vol 18 (18) ◽  
pp. 12914-12919 ◽  
Author(s):  
Jianhui Yang ◽  
Xuepiao Luo ◽  
Shaozheng Zhang ◽  
Liang Chen
Keyword(s):  
Transition Metal ◽  
Electronic Properties ◽  
First Principles ◽  
Two Dimensional ◽  
Spin Electronics ◽  
First Principles Study ◽  
Two Dimensional Materials ◽  
Metal Doped ◽  
Mn Doped

Cr- and Mn-doped Sc2CT2(T = OH, O, or F) systems are magnetic, which are promising two-dimensional materials in spin electronics applications.

Structural stability and intriguing electronic properties of two-dimensional transition metal dichalcogenide alloys

2017 ◽  
Vol 19 (21) ◽  
pp. 13846-13854 ◽  
Author(s):  
Xiao Yuan ◽  
Mingye Yang ◽  
Lu Wang ◽  
Youyong Li
Keyword(s):  
Transition Metal ◽  
Electronic Properties ◽  
Structural Stability ◽  
Transition Metal Dichalcogenide ◽  
Two Dimensional

Novel heterolayer and alternating structures were proposed for transition metal dichalcogenide alloys with intriguing electronic properties.

Twisted MX2/MoS2heterobilayers: effect of van der Waals interaction on the electronic structure

Nanoscale ◽  
2017 ◽  
Vol 9 (48) ◽  
pp. 19131-19138 ◽  
Author(s):  
Ning Lu ◽  
Hongyan Guo ◽  
Zhiwen Zhuo ◽  
Lu Wang ◽  
Xiaojun Wu ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Transition Metal ◽  
Electronic Properties ◽  
First Principles ◽  
Van Der Waals ◽  
Van Der Waals Interaction ◽  
Transition Metal Dichalcogenide ◽  
First Principles Study

A comprehensive first-principles study of the electronic properties of twisted 2D transition metal dichalcogenide (TMDC) heterobilayers MX2/MoS2(M = Mo, Cr, W; X = S, Se) with different rotation angles has been performed.

scholarly journals MoS2/MX2 heterobilayers: bandgap engineering via tensile strain or external electrical field

Nanoscale ◽  
2014 ◽  
Vol 6 (5) ◽  
pp. 2879-2886 ◽  
Author(s):  
Ning Lu ◽  
Hongyan Guo ◽  
Lei Li ◽  
Jun Dai ◽  
Lu Wang ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Transition Metal ◽  
First Principles ◽  
Tensile Strain ◽  
Transition Metal Dichalcogenide ◽  
Two Dimensional ◽  
Bandgap Engineering ◽  
Electrical Field ◽  
Electronic And Magnetic Properties ◽  
External Electrical Field

We have performed a comprehensive first-principles study of the electronic and magnetic properties of two-dimensional (2D) transition-metal dichalcogenide (TMD) heterobilayers MX2/MoS2 (M = Mo, Cr, W, Fe, V; X = S, Se).

Improved thermoelectric properties of WS2-WSe2 phononic crystals: insights from first-principles calculations

Nanoscale ◽  
2021 ◽  
Author(s):  
Dan Han ◽  
Xiaoheng Yang ◽  
Mu Du ◽  
Gongming Xin ◽  
Jingchao Zhang ◽  
...  
Keyword(s):  
Transition Metal ◽  
Physical Properties ◽  
Thermoelectric Properties ◽  
First Principles ◽  
Phononic Crystals ◽  
Transition Metal Dichalcogenide ◽  
Two Dimensional ◽  
First Principles Calculations

Recently, two-dimensional transition metal dichalcogenide (TMDC) monolayers have stirred much attention owing to their excellent physical properties. In the present study, we systematically investigate the thermoelectric properties of different WS2-WSe2...

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