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.

scholarly journals Two-dimensional inorganic analogues of graphene: transition metal dichalcogenides

2016 ◽  
Vol 374 (2076) ◽  
pp. 20150318 ◽  
Author(s):  
Manoj K. Jana ◽  
C. N. R. Rao
Keyword(s):  
Transition Metal ◽  
Transition Metal Dichalcogenides ◽  
Single Layer ◽  
Layered Materials ◽  
Two Dimensional ◽  
2D Layered Materials ◽  
Wide Range ◽  
Buckminster Fullerene ◽  
Metal Dichalcogenides ◽  
Layered Transition Metal

The discovery of graphene marks a major event in the physics and chemistry of materials. The amazing properties of this two-dimensional (2D) material have prompted research on other 2D layered materials, of which layered transition metal dichalcogenides (TMDCs) are important members. Single-layer and few-layer TMDCs have been synthesized and characterized. They possess a wide range of properties many of which have not been known hitherto. A typical example of such materials is MoS 2 . In this article, we briefly present various aspects of layered analogues of graphene as exemplified by TMDCs. The discussion includes not only synthesis and characterization, but also various properties and phenomena exhibited by the TMDCs. This article is part of the themed issue ‘Fullerenes: past, present and future, celebrating the 30th anniversary of Buckminster Fullerene’.

Two-dimensional transition metal dichalcogenides as promising anodes for potassium ion batteries from first-principles prediction

2019 ◽  
Vol 21 (42) ◽  
pp. 23441-23446 ◽  
Author(s):  
Zixiang Zhang ◽  
Mingye Yang ◽  
Ni Zhao ◽  
Lu Wang ◽  
Youyong Li
Keyword(s):  
Transition Metal ◽  
First Principles ◽  
Transition Metal Dichalcogenides ◽  
Atomic Radius ◽  
Potassium Ion ◽  
Two Dimensional ◽  
Migration Barriers ◽  
Metal Dichalcogenides ◽  
Na Ions

Although K possesses a larger atomic radius, its migration barriers on TMD monolayers are much smaller than those of Li and Na ions. Among them, both VS2 and TiS2 are suggested to be the best electrode for KIBs.

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.

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