Identifying Metallic Transition-Metal Dichalcogenides for Hydrogen Evolution through Multilevel High-Throughput Calculations and Machine Learning

2021 ◽  
Vol 12 (8) ◽  
pp. 2102-2111
Author(s):  
Nian Ran ◽  
Bo Sun ◽  
Wujie Qiu ◽  
Erhong Song ◽  
Tingwei Chen ◽  
...  
Keyword(s):  
Machine Learning ◽  
Transition Metal ◽  
Hydrogen Evolution ◽  
High Throughput ◽  
Transition Metal Dichalcogenides ◽  
Metal Dichalcogenides

Size-dependent phase stability in transition metal dichalcogenide nanoparticles controlled by metal substrates

Nanoscale ◽  
2021 ◽  
Author(s):  
Albert Bruix ◽  
Jeppe Vang Lauritsen ◽  
Bjork Hammer
Keyword(s):  
Transition Metal ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Phase Stability ◽  
Transition Metal Dichalcogenides ◽  
Transition Metal Dichalcogenide ◽  
Metal Substrates ◽  
Size Dependent ◽  
Metal Dichalcogenides

Nanomaterials based on MoS2 and related transition metal dichalcogenides are remarkably versatile; MoS2 nanoparticles are proven catalysts for processes such as hydrodesulphurization and the hydrogen evolution reaction, and transition metal...

Two-dimensional transition-metal dichalcogenides for electrochemical hydrogen evolution reaction

FlatChem ◽  
2019 ◽  
Vol 18 ◽  
pp. 100140 ◽  
Author(s):  
Kunlei Zhu ◽  
Chenyu Li ◽  
Zhihong Jing ◽  
Xicheng Liu ◽  
Yuanchun He ◽  
...  
Keyword(s):  
Transition Metal ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Transition Metal Dichalcogenides ◽  
Two Dimensional ◽  
Metal Dichalcogenides

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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