Activation of the MoSe2 basal plane and Se-edge by B doping for enhanced hydrogen evolution

2018 ◽  
Vol 6 (2) ◽  
pp. 510-515 ◽  
Author(s):  
Daqiang Gao ◽  
Baorui Xia ◽  
Changrong Zhu ◽  
Yonghua Du ◽  
Pinxian Xi ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Basal Plane ◽  
Vertically Aligned ◽  
B Doping

We demonstrate by both calculation and experiments the effective B doping-induced activation of both the basal plane and Se-edge in vertically aligned MoSe2 flakes, and the disruptive enhancement in the electrocatalytic hydrogen evolution reaction.

Design of Basal Plane Edges in Metal-Doped Nanostripes-Structured MoSe2 Atomic Layers To Enhance Hydrogen Evolution Reaction Activity

2018 ◽  
Vol 7 (1) ◽  
pp. 458-469 ◽  
Author(s):  
Dhanasekaran Vikraman ◽  
Sajjad Hussain ◽  
Kamran Akbar ◽  
K. Karuppasamy ◽  
Seung-Hyun Chun ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Basal Plane ◽  
Metal Doped

Catalytic Hydrogen Evolution Reaction Enhancement on Vertically Aligned MoS 2 by Synergistic Addition of Silver and Palladium

2020 ◽  
Vol 7 (20) ◽  
pp. 4224-4232
Author(s):  
Itai Gerlitz ◽  
Mor Fiegenbaum‐Raz ◽  
Maya Bar‐Sadan ◽  
Hagai Cohen ◽  
Ariel Ismach ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Catalytic Hydrogen ◽  
Vertically Aligned ◽  
Catalytic Hydrogen Evolution

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.

Theoretical investigation on the hydrogen evolution reaction mechanism at MoS2 heterostructures: the essential role of the 1T/2H phase interface

2020 ◽  
Vol 10 (2) ◽  
pp. 458-465 ◽  
Author(s):  
Tian Zhang ◽  
Houyu Zhu ◽  
Chen Guo ◽  
Shoufu Cao ◽  
Chi-Man Lawrence Wu ◽  
...  
Keyword(s):  
Reaction Mechanism ◽  
Dft Calculations ◽  
Hydrogen Evolution ◽  
Theoretical Investigation ◽  
Hydrogen Evolution Reaction ◽  
Basal Plane ◽  
Essential Role ◽  
Phase Interface

DFT calculations have been performed to study the HER mechanism at 1T/2H MoS2 heterostructures. The HER activity along the 1T/2H phase interface is comparable with those at the Mo-edge of 2H MoS2 and the basal plane of 1T MoS2.

Mo-dopant-strengthened basal-plane activity in VS2 for accelerating hydrogen evolution reaction

2020 ◽  
Vol 396 ◽  
pp. 125227
Author(s):  
Wenyuan He ◽  
Xuejun Zheng ◽  
Jinfeng Peng ◽  
Hui Dong ◽  
Jingwei Wang ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Basal Plane

Basal Plane Activation in Monolayer MoTe2 for Hydrogen Evolution Reaction via Phase Boundaries

2020 ◽  
Author(s):  
Yiqing Chen ◽  
Pengfei Ou ◽  
Xiaohan Bie ◽  
Jun Song
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Basal Plane ◽  
High Performance ◽  
Hydrogen Adsorption ◽  
Transition Metal Dichalcogenides ◽  
Stable Phase ◽  
Great Promise ◽  
Phase Boundaries ◽  
Metal Dichalcogenides

<p>Two-dimensional transition metal dichalcogenides (2D TMDCs) have attracted tremendous interest as one prominent material group promising inexpensive <a>electrocatalysts for hydrogen evolution reaction (HER)</a>. In the present study, using <a>monolayer MoTe<sub>2</sub> as a representative, we demonstrated that </a>phase boundaries can provide a viable pathway to activate the basal plane of 2D TMDCs for enhanced HER performance. Comprehensive first-principles calculations have been performed to examine the energetics and structural stabilities of possible 2H/1T’ phase boundary configurations. Three categories of sites, Te, Mo and hollow sites, have been identified in energetically stable phase boundaries, as potential catalytic centers for HER, all indicating enhanced HER activity than the pristine basal lattice. In particular, the hollow sites, a new group of sites induced by phase boundaries, show great promise by exhibiting a Gibbs free energy near the thermoneutral value for hydrogen adsorption, comparable to that of Pt. The mechanisms underlying hydrogen adsorption at phase boundaries were then revealed, shown to be attributed to the unique local hydrogen adsorption geometries and electronic structures at phase boundaries. Our study clarifies the important mechanistic aspects underlying hydrogen activation at phase boundaries, providing valuable theoretical insights towards designing new class of high-performance HER electrocatalysts based on 2D TMDCs.</p>

Fluorination Activates the Basal Plane HER Activity of ReS2: A Combined Experimental and Theoretical Study

2021 ◽  
Author(s):  
Yonggang Liu ◽  
Haijing Li ◽  
Junfu Li ◽  
Xiaoshuang Ma ◽  
Zhiming Cui ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Basal Plane ◽  
Active Sites ◽  
Theoretical Study ◽  
Two Dimensional ◽  
Catalytic Active Sites

Two-dimensional (2D) rhenium disulfide (ReS2) has been attracting immense interests as highly promising hydrogen evolution reaction (HER) electrocatalyst recently. However, the HER catalytic active sites of ReS2 are still limited...

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