From Point to Line Defects in Two-Dimensional Transition Metal Dichalcogenides: Insights from Transmission Electron Microscopy and First-Principles Calculations

2017 ◽  
pp. 71-85 ◽  
Author(s):  
H.-P. Komsa ◽  
A. V. Krasheninnikov
Keyword(s):  
Electron Microscopy ◽  
Transmission Electron Microscopy ◽  
Transition Metal ◽  
First Principles ◽  
Transition Metal Dichalcogenides ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Transmission Electron ◽  
Metal Dichalcogenides ◽  
Line Defects

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.

scholarly journals Atomic structure of defects and dopants in 2D layered transition metal dichalcogenides

2018 ◽  
Vol 47 (17) ◽  
pp. 6764-6794 ◽  
Author(s):  
Shanshan Wang ◽  
Alex Robertson ◽  
Jamie H. Warner
Keyword(s):  
Electron Microscopy ◽  
Transmission Electron Microscopy ◽  
Transition Metal ◽  
Atomic Structure ◽  
Transition Metal Dichalcogenides ◽  
Transmission Electron ◽  
Metal Dichalcogenides ◽  
Layered Transition Metal

Transmission electron microscopy can directly image the detailed atomic structure of layered transition metal dichalcogenides, revealing defects and dopants.

Intriguing electronic structures and optical properties of two-dimensional van der Waals heterostructures of Zr2CT2 (T = O, F) with MoSe2 and WSe2

2018 ◽  
Vol 6 (11) ◽  
pp. 2830-2839 ◽  
Author(s):  
Gul Rehman ◽  
S. A. Khan ◽  
B. Amin ◽  
Iftikhar Ahmad ◽  
Li-Yong Gan ◽  
...  
Keyword(s):  
Optical Properties ◽  
Material Properties ◽  
First Principles ◽  
Electronic Structures ◽  
Van Der Waals ◽  
Transition Metal Dichalcogenides ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Van Der Waals Heterostructures ◽  
Metal Dichalcogenides

Based on (hybrid) first-principles calculations, material properties (structural, electronic, vibrational, optical, and photocatalytic) of van der Waals heterostructures and their corresponding monolayers (transition metal dichalcogenides and MXenes) are investigated.

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.

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