scholarly journals Reaction Mechanism for the Hydrogen Evolution Reaction on the Basal Plane Sulfur Vacancy Site of MoS2 Using Grand Canonical Potential Kinetics

2018 ◽  
Vol 140 (48) ◽  
pp. 16773-16782 ◽  
Author(s):  
Yufeng Huang ◽  
Robert J. Nielsen ◽  
William A. Goddard
Keyword(s):  
Reaction Mechanism ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Basal Plane ◽  
Sulfur Vacancy ◽  
Vacancy Site ◽  
Grand Canonical

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.

Sulfur vacancy-tailored NiCo2S4 nanosheet arrays for the hydrogen evolution reaction at all pH values

2020 ◽  
Vol 10 (4) ◽  
pp. 1056-1065 ◽  
Author(s):  
Xiaoliang Guo ◽  
Zhiming Liu ◽  
Fang Liu ◽  
Jun Zhang ◽  
Lekai Zheng ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Sulfur Vacancy ◽  
Ph Values ◽  
Nanosheet Arrays

Sulfur vacancy-tailored NiCo2S4 nanosheet arrays as efficient electrocatalysts for the hydrogen evolution reaction at all pH values.

Role of Hyper-Reduced States in Hydrogen Evolution Reaction at Sulfur Vacancy in MoS2

ACS Catalysis ◽  
2018 ◽  
Vol 8 (5) ◽  
pp. 4508-4515 ◽  
Author(s):  
Kye Yeop Kim ◽  
Joohee Lee ◽  
Sungwoo Kang ◽  
Young-Woo Son ◽  
Ho Won Jang ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Sulfur Vacancy

Unveiling a Photoinduced Hydrogen Evolution Reaction Mechanism via the Concerted Formation of Uranyl Peroxide

2020 ◽  
Vol 59 (12) ◽  
pp. 8353-8360 ◽  
Author(s):  
Enric Petrus ◽  
Mireia Segado ◽  
Nuno A. G. Bandeira ◽  
Carles Bo
Keyword(s):  
Reaction Mechanism ◽  
Hydrogen Evolution ◽  
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

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.

Détermination du mécanisme de dégagement d'hydrogène sur le niobium en milieu alcalin

1977 ◽  
Vol 55 (3) ◽  
pp. 375-379 ◽  
Author(s):  
Cherubala P. Vijayan ◽  
Dominique-Louis Piron
Keyword(s):  
Reaction Mechanism ◽  
Standard Deviation ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Reaction Order ◽  
Alkaline Media ◽  
Tafel Slopes

The mechanism of the hydrogen evolution reaction on niobium is evaluated in alkaline media at 24 °C. The reaction order of zero, along with the observed Tafel slopes of 120 mV/decade (standard deviation 8 mV/dec.), indicate the Heyrovsky reaction mechanism to be applicable for the hydrogen evolution reaction. The presence of anions such as sulfate and chloride does not influence the mechanism.

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.

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