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.

scholarly journals A Mini Review on Doped Nickel-Based Electrocatalysts for Hydrogen Evolution Reaction

Energies ◽  
2020 ◽  
Vol 13 (18) ◽  
pp. 4651
Author(s):  
Yilin Deng ◽  
Wei Lai ◽  
Bin Xu
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Water Electrolysis ◽  
Energy Resources ◽  
Alkaline Media ◽  
Hydrogen Energy ◽  
Heteroatom Doping ◽  
Highly Active ◽  
Production Of Hydrogen

The energy crisis and environmental pollution have attracted much attention and have promoted researches on clean and sustainable hydrogen energy resources. With the help of highly active and stable transition metal nickel-based catalysts, the production of hydrogen from water electrolysis from electrolyzed water has become an inexpensive and efficient strategy for generating hydrogen energy. In recent years, heteroatom doping has been found to be an effective strategy to improve the electrocatalytic hydrogen evolution reaction (HER) performances of nickel-based catalysts in acidic, neutral, and alkaline media. This review will highlight many recent works of inexpensive and readily available heteroatom-doped nickel-based HER catalysts. The evaluation methods for the performances of HER catalyst will be briefly described, and the role of heteroatom doping and its application in nickel-based catalyst will be summarized. This article will also point out some heteroatom doping strategies, which may provide references and inspire the design of other catalysts with dopants.

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

Role of Quantum-size Effects on the Dehydrogenation of CH4 on 3d TMn Clusters: DFT Calculations Combined with Data Mining

2022 ◽  
Author(s):  
Karla Furtado Andriani ◽  
Priscilla Felício Sousa ◽  
Felipe Orlando Morais ◽  
Juarez L. F. Da Silva
Keyword(s):  
Data Mining ◽  
Transition Metal ◽  
Dft Calculations ◽  
Theoretical Investigation ◽  
Size Effects ◽  
Metal Clusters ◽  
Quantum Size Effects ◽  
Transition Metal Clusters ◽  
Quantum Size

In this work, we report a theoretical investigation of the role of quantum-size effects (QSE) on the dehydrogenation of methane (CH4) on 3d transition-metal clusters, TMn , where TM =...

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

scholarly journals Boosting alkaline hydrogen evolution: the dominating role of interior modification in surface electrocatalysis

2020 ◽  
Vol 13 (9) ◽  
pp. 3110-3118 ◽  
Author(s):  
Zhao Li ◽  
Wenhan Niu ◽  
Zhenzhong Yang ◽  
Abdelkader Kara ◽  
Qi Wang ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Water Dissociation ◽  
Alkaline Solutions ◽  
Great Promise ◽  
Hydrogen Fuel ◽  
Practical Utilization

The alkaline hydrogen evolution reaction (A-HER) holds great promise for clean hydrogen fuel generation but its practical utilization is severely hindered by the sluggish kinetics for water dissociation in alkaline solutions.

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