First-Principles Computational Screening of Highly Active Pyrites Catalysts for Hydrogen Evolution Reaction through a Universal Relation with a Thermodynamic Variable

2018 ◽  
Vol 122 (4) ◽  
pp. 2107-2112 ◽  
Author(s):  
Joonhee Kang ◽  
Jeemin Hwang ◽  
Byungchan Han
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
First Principles ◽  
Universal Relation ◽  
Thermodynamic Variable ◽  
Highly Active ◽  
Computational Screening

scholarly journals Hydrogen evolution reaction activity related to the facet-dependent electrocatalytic performance of NiCoP from first principles

RSC Advances ◽  
2019 ◽  
Vol 9 (21) ◽  
pp. 11755-11761 ◽  
Author(s):  
Jie Mou ◽  
Yuyue Gao ◽  
Jingbo Wang ◽  
Jianyi Ma ◽  
Haisheng Ren
Keyword(s):  
Transition Metal ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
First Principles ◽  
Highly Active ◽  
Electrocatalytic Performance ◽  
Metal Phosphides ◽  
Transition Metal Phosphides

Transition metal phosphides (TMPs) have been proven to act as highly active catalysts for the hydrogen evolution reaction (HER).

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.

Copper complexes as catalyst precursors in the electrochemical hydrogen evolution reaction

2016 ◽  
Vol 45 (16) ◽  
pp. 6974-6982 ◽  
Author(s):  
Merle Kügler ◽  
Julius Scholz ◽  
Andreas Kronz ◽  
Inke Siewert
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Copper Complexes ◽  
Highly Active

Two copper complexes were investigated with respect to their activity in the electrocatalysed hydrogen evolution reaction. The complexes are precursors for highly active copper(0) and Cu2O deposits.

Planar‐Coordination PdSe 2 Nanosheets as Highly Active Electrocatalyst for Hydrogen Evolution Reaction

2021 ◽  
pp. 2102321
Author(s):  
Zhiping Lin ◽  
BeiBei Xiao ◽  
Zongpeng Wang ◽  
Weiying Tao ◽  
Shijie Shen ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Highly Active

First-Principles Investigation of Two-Dimensional Covalent Organic Frameworks Electrocatalysts for Oxygen Evolution/Reduction and Hydrogen Evolution Reactions

2021 ◽  
Author(s):  
Jing Ji ◽  
Cunjin Zhang ◽  
Shuaibo Qin ◽  
Peng Jin
Keyword(s):  
Renewable Energy ◽  
Hydrogen Evolution ◽  
Oxygen Evolution ◽  
Hydrogen Evolution Reaction ◽  
First Principles ◽  
Oxygen Evolution Reaction ◽  
Reduction Reaction ◽  
Two Dimensional ◽  
Energy Applications ◽  
Hydrogen Evolution Reactions

The oxygen evolution reaction (OER), oxygen reduction reaction (ORR), and hydrogen evolution reaction (HER) all have attracted much attention due to their utmost importance for clean and renewable energy applications....

scholarly journals WS(1−x)Sex Nanoparticles Decorated Three-Dimensional Graphene on Nickel Foam: A Robust and Highly Efficient Electrocatalyst for the Hydrogen Evolution Reaction

Nanomaterials ◽  
2018 ◽  
Vol 8 (11) ◽  
pp. 929 ◽  
Author(s):  
Sajjad Hussain ◽  
Kamran Akbar ◽  
Dhanasekaran Vikraman ◽  
Rana Afzal ◽  
Wooseok Song ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Large Scale ◽  
Nickel Foam ◽  
Transition Metal Dichalcogenides ◽  
Three Dimensional ◽  
Cost Effective ◽  
Highly Efficient ◽  
Highly Active ◽  
Earth Abundant

To find an effective alternative to scarce, high-cost noble platinum (Pt) electrocatalyst for hydrogen evolution reaction (HER), researchers are pursuing inexpensive and highly efficient materials as an electrocatalyst for large scale practical application. Layered transition metal dichalcogenides (TMDCs) are promising candidates for durable HER catalysts due to their cost-effective, highly active edges and Earth-abundant elements to replace Pt electrocatalysts. Herein, we design an active, stable earth-abundant TMDCs based catalyst, WS(1−x)Sex nanoparticles-decorated onto a 3D porous graphene/Ni foam. The WS(1−x)Sex/graphene/NF catalyst exhibits fast hydrogen evolution kinetics with a moderate overpotential of ~−93 mV to drive a current density of 10 mA cm−2, a small Tafel slope of ~51 mV dec−1, and a long cycling lifespan more than 20 h in 0.5 M sulfuric acid, which is much better than WS2/NF and WS2/graphene/NF catalysts. Our outcomes enabled a way to utilize the TMDCs decorated graphene and precious-metal-free electrocatalyst as mechanically robust and electrically conductive catalyst materials.

Highly efficient catalytic activity for the hydrogen evolution reaction on pristine and monovacancy defected WP systems: a first-principles investigation

2018 ◽  
Vol 20 (20) ◽  
pp. 13757-13764 ◽  
Author(s):  
Yanfeng Ma ◽  
Guangtao Yu ◽  
Ting Wang ◽  
Chenghui Zhang ◽  
Xuri Huang ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
First Principles ◽  
Deep Understanding ◽  
Atomic Level ◽  
Highly Efficient ◽  
Tungsten Phosphide

A deep understanding of HER catalytic activity of tungsten phosphide at the atomic level and its effective improvement by introducing a monovacancy.

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