scholarly journals Stability and electronic structure of hydrogenated two-dimensional transition metal dichalcogenides: First-principles study

2019 ◽  
Vol 68 (3) ◽  
pp. 037102
Author(s):  
Dan Wang ◽  
Juan Zou ◽  
Li-Ming Tang
Keyword(s):  
Electronic Structure ◽  
Transition Metal ◽  
First Principles ◽  
Transition Metal Dichalcogenides ◽  
Two Dimensional ◽  
First Principles Study ◽  
Metal Dichalcogenides

Black phosphorene/monolayer transition-metal dichalcogenides as two dimensional van der Waals heterostructures: a first-principles study

2016 ◽  
Vol 18 (10) ◽  
pp. 7381-7388 ◽  
Author(s):  
Baiqing You ◽  
Xiaocha Wang ◽  
Zhida Zheng ◽  
Wenbo Mi
Keyword(s):  
Electronic Structure ◽  
Transition Metal ◽  
First Principles ◽  
Van Der Waals ◽  
Transition Metal Dichalcogenides ◽  
Two Dimensional ◽  
Van Der Waals Heterostructures ◽  
First Principles Study ◽  
Black Phosphorene ◽  
Metal Dichalcogenides

The electronic structure of black phosphorene/XT2(X = Mo, W; T = S, Se, Te) two dimensional heterostructures is presented using the first-principles method.

Gas adsorption on MoS2/WS2 in-plane heterojunctions and the I–V response: a first principles study

RSC Advances ◽  
2016 ◽  
Vol 6 (21) ◽  
pp. 17494-17503 ◽  
Author(s):  
Jie Sun ◽  
Na Lin ◽  
Hao Ren ◽  
Cheng Tang ◽  
Letao Yang ◽  
...  
Keyword(s):  
Transition Metal ◽  
First Principles ◽  
Gas Adsorption ◽  
Transition Metal Dichalcogenides ◽  
Two Dimensional ◽  
First Principles Study ◽  
Metal Dichalcogenides ◽  
Great Scope

New artificial in-plane heterojunctions based on two-dimensional transition metal dichalcogenides fabricated in recent reports are considered able to offer great scope for applications.

First-principles study of bilayer hexagonal structure of SN2 nanosheet: a highly stable non-metal platform for the quantum anomalous Hall effect

2021 ◽  
Author(s):  
Yanli Wang ◽  
Yi Ding
Keyword(s):  
Transition Metal ◽  
Hall Effect ◽  
First Principles ◽  
Transition Metal Dichalcogenides ◽  
Anomalous Hall Effect ◽  
Hexagonal Structure ◽  
Two Dimensional ◽  
First Principles Study ◽  
Quantum Anomalous Hall Effect ◽  
Metal Dichalcogenides

Although layered metal dinitrides (MN2) have been proposed as the cousins of transition-metal dichalcogenides, the non-MoS2-type geometries are found to be more favourable in two-dimensional (2D) MN2 nanosheets. In this...

First-principles investigations of vanadium disulfide for lithium and sodium ion battery applications

RSC Advances ◽  
2016 ◽  
Vol 6 (60) ◽  
pp. 54874-54879 ◽  
Author(s):  
Wenhui Wang ◽  
Zhongti Sun ◽  
Wenshuai Zhang ◽  
Quanping Fan ◽  
Qi Sun ◽  
...  
Keyword(s):  
Transition Metal ◽  
First Principles ◽  
Transition Metal Dichalcogenides ◽  
Sodium Ion ◽  
Sodium Ion Battery ◽  
Two Dimensional ◽  
Scientific Interest ◽  
Metal Dichalcogenides ◽  
Layered Transition Metal

Recently, two-dimensional (2D) layered transition metal dichalcogenides (LTMDs) have attracted great scientific interest for ion battery applications.

Basal plane activation in monolayer MoTe2 for the hydrogen evolution reaction via phase boundaries

2020 ◽  
Vol 8 (37) ◽  
pp. 19522-19532
Author(s):  
Yiqing Chen ◽  
Pengfei Ou ◽  
Xiaohan Bie ◽  
Jun Song
Keyword(s):  
Transition Metal ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
First Principles ◽  
Basal Plane ◽  
Transition Metal Dichalcogenides ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Phase Boundaries ◽  
Metal Dichalcogenides

The 2H/1T′ phase boundary activated hydrogen evolution reaction on two-dimensional transition metal dichalcogenides is well studied by comprehensive first-principles calculations.

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