Rational design of an efficient descriptor for single-atom catalysts in the hydrogen evolution reaction

2020 ◽  
Vol 8 (18) ◽  
pp. 9202-9208 ◽  
Author(s):  
Hai-Cai Huang ◽  
Yang Zhao ◽  
Jing Wang ◽  
Jun Li ◽  
Jing Chen ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Rational Design ◽  
Single Atom ◽  
Highly Efficient

A highly efficient and reliable descriptor is proposed offering a strategy to rationally design SACs for the HER conveniently and quickly.

scholarly journals Engineering Ruthenium-Based Electrocatalysts for Effective Hydrogen Evolution Reaction

2021 ◽  
Vol 13 (1) ◽  
Author(s):  
Yingjie Yang ◽  
Yanhui Yu ◽  
Jing Li ◽  
Qingrong Chen ◽  
Yanlian Du ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Rational Design ◽  
Energy System ◽  
Structure Design ◽  
Single Atom ◽  
Research Progress ◽  
Pure Hydrogen ◽  
Hydrogen Energy ◽  
Practical Applications

AbstractThe investigation of highly effective, durable, and cost-effective electrocatalysts for the hydrogen evolution reaction (HER) is a prerequisite for the upcoming hydrogen energy society. To establish a new hydrogen energy system and gradually replace the traditional fossil-based energy, electrochemical water-splitting is considered the most promising, environmentally friendly, and efficient way to produce pure hydrogen. Compared with the commonly used platinum (Pt)-based catalysts, ruthenium (Ru) is expected to be a good alternative because of its similar hydrogen bonding energy, lower water decomposition barrier, and considerably lower price. Analyzing and revealing the HER mechanisms, as well as identifying a rational design of Ru-based HER catalysts with desirable activity and stability is indispensable. In this review, the research progress on HER electrocatalysts and the relevant describing parameters for HER performance are briefly introduced. Moreover, four major strategies to improve the performance of Ru-based electrocatalysts, including electronic effect modulation, support engineering, structure design, and maximum utilization (single atom) are discussed. Finally, the challenges, solutions and prospects are highlighted to prompt the practical applications of Ru-based electrocatalysts for HER.

scholarly journals Engineering single-atomic ruthenium catalytic sites on defective nickel-iron layered double hydroxide for overall water splitting

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Panlong Zhai ◽  
Mingyue Xia ◽  
Yunzhen Wu ◽  
Guanghui Zhang ◽  
Junfeng Gao ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Water Splitting ◽  
Layered Double Hydroxide ◽  
Hydrogen Evolution Reaction ◽  
Active Sites ◽  
Density Functional ◽  
Rational Design ◽  
Single Atom ◽  
Nickel Iron ◽  
Double Hydroxide

AbstractRational design of single atom catalyst is critical for efficient sustainable energy conversion. However, the atomic-level control of active sites is essential for electrocatalytic materials in alkaline electrolyte. Moreover, well-defined surface structures lead to in-depth understanding of catalytic mechanisms. Herein, we report a single-atomic-site ruthenium stabilized on defective nickel-iron layered double hydroxide nanosheets (Ru1/D-NiFe LDH). Under precise regulation of local coordination environments of catalytically active sites and the existence of the defects, Ru1/D-NiFe LDH delivers an ultralow overpotential of 18 mV at 10 mA cm−2 for hydrogen evolution reaction, surpassing the commercial Pt/C catalyst. Density functional theory calculations reveal that Ru1/D-NiFe LDH optimizes the adsorption energies of intermediates for hydrogen evolution reaction and promotes the O–O coupling at a Ru–O active site for oxygen evolution reaction. The Ru1/D-NiFe LDH as an ideal model reveals superior water splitting performance with potential for the development of promising water-alkali electrocatalysts.

scholarly journals Rational Design of Graphene-Supported Single Atom Catalysts for Hydrogen Evolution Reaction

2019 ◽  
Vol 9 (10) ◽  
pp. 1803689 ◽  
Author(s):  
Md Delowar Hossain ◽  
Zhenjing Liu ◽  
Minghao Zhuang ◽  
Xingxu Yan ◽  
Gui-Liang Xu ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Rational Design ◽  
Single Atom

Rational design of Pt–Ni–Co ternary alloy nanoframe crystals as highly efficient catalysts toward the alkaline hydrogen evolution reaction

Nanoscale ◽  
2016 ◽  
Vol 8 (36) ◽  
pp. 16379-16386 ◽  
Author(s):  
Aram Oh ◽  
Young Jin Sa ◽  
Hyeyoun Hwang ◽  
Hionsuck Baik ◽  
Jun Kim ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Ternary Alloy ◽  
Hydrogen Evolution Reaction ◽  
Rational Design ◽  
Highly Efficient

Well-dispersed ultrasmall VC nanoparticles embedded in N-doped carbon nanotubes as highly efficient electrocatalysts for hydrogen evolution reaction

Nanoscale ◽  
2018 ◽  
Vol 10 (29) ◽  
pp. 14272-14279 ◽  
Author(s):  
Liyun Cao ◽  
Ning Zhang ◽  
Liangliang Feng ◽  
Jianfeng Huang ◽  
Yongqiang Feng ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Rational Design ◽  
Catalytic Properties ◽  
Design And Synthesis ◽  
Highly Efficient ◽  
Earth Abundant

The rational design and synthesis of ultrasmall metal-based electrocatalysts using earth-abundant elements are considered as a promising route to improve catalytic properties.

RuP2-based hybrids derived from MOFs: highly efficient pH-universal electrocatalysts for hydrogen evolution reaction

2021 ◽  
Author(s):  
Ji-Sen Li ◽  
Meng-Jie Huang ◽  
Yu-Wei Zhou ◽  
Xiao-Nan Chen ◽  
Shuang Yang ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Rational Design ◽  
Low Cost ◽  
Highly Efficient ◽  
First Time

Rational design of efficient, low-cost, and durable electrocatalysts for hydrogen evolution reaction (HER) in various pH media is highly desirable but remains challenging. Herein, for the first time, we present...

Atomically dispersed NiN4-Cl active site with axial Ni-Cl coordination for accelerating electrocatalytic hydrogen evolution

2021 ◽  
Author(s):  
Min Li ◽  
Minmin Wang ◽  
Dongyuan Liu ◽  
Yuan Pan ◽  
Shoujie Liu ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Active Site ◽  
Single Atom ◽  
Controllable Synthesis ◽  
Coordination Structure ◽  
Axial Coordination ◽  
Highly Efficient

Single-atom catalysts (SACs) regulated by heteroatoms have displayed great potential as electrocatalysts for highly efficient hydrogen evolution reaction (HER); however, the controllable synthesis of an axial coordination structure of SACs...

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