Single-atom catalysts based on TiN for the electrocatalytic hydrogen evolution reaction: a theoretical study

2021 ◽  
Author(s):  
Bingling He ◽  
Jiansheng Shen ◽  
Bin Wang ◽  
Zhansheng Lu ◽  
Dongwei Ma
Keyword(s):  
Hydrogen Evolution ◽  
Water Splitting ◽  
Hydrogen Evolution Reaction ◽  
Theoretical Study ◽  
Sustainable Production ◽  
Single Atom ◽  
Pt Catalyst ◽  
Hydrogen Fuel

Electrocatalytic hydrogen evolution reaction (HER) for the water splitting is crucial for the sustainable production of clean hydrogen fuel, while the expensiveness of Pt catalyst impedes its commercialization. Herein, we...

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.

Nickel phosphide decorated with trace amount of platinum as an efficient electrocatalyst for the alkaline hydrogen evolution reaction

2019 ◽  
Vol 3 (8) ◽  
pp. 2006-2014 ◽  
Author(s):  
Jiawei Xia ◽  
Kapil Dhaka ◽  
Michael Volokh ◽  
Guiming Peng ◽  
Zhen Wu ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Water Splitting ◽  
Hydrogen Evolution Reaction ◽  
Trace Amount ◽  
Sustainable Production ◽  
Nickel Phosphide ◽  
Promising Technology ◽  
Production Of Hydrogen

Electrocatalytic water-splitting is considered as a highly promising technology for the sustainable production of hydrogen.

Hierarchically porous FeNi3@FeNi layered double hydroxide nanostructures: One-step fast electrodeposition and highly efficient electrocatalytic performances for overall water splitting

2021 ◽  
Author(s):  
Zihao Liu ◽  
Shifeng Li ◽  
Fangfang Wang ◽  
Mingxia Li ◽  
Yonghong Ni
Keyword(s):  
Hydrogen Evolution ◽  
Water Splitting ◽  
Oxygen Evolution ◽  
Layered Double Hydroxide ◽  
Hydrogen Evolution Reaction ◽  
Oxygen Evolution Reaction ◽  
Electrocatalytic Activity ◽  
Hierarchically Porous ◽  
One Step ◽  
Double Hydroxide

FeNi-layered double hydroxide (LDH) is thought to be an excellent electrocatalyst for oxygen evolution reaction (OER), but it always shows extremely poor electrocatalytic activity toward hydrogen evolution reaction (HER) in...

scholarly journals Electronic metal–support interaction modulates single-atom platinum catalysis for hydrogen evolution reaction

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Yi Shi ◽  
Zhi-Rui Ma ◽  
Yi-Ying Xiao ◽  
Yun-Chao Yin ◽  
Wen-Mao Huang ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Structure Activity Relationship ◽  
Atomic Level ◽  
Single Atom ◽  
Activity Relationship ◽  
Support Interaction ◽  
Structure Activity ◽  
Metal Support Interaction ◽  
Metal Support

AbstractTuning metal–support interaction has been considered as an effective approach to modulate the electronic structure and catalytic activity of supported metal catalysts. At the atomic level, the understanding of the structure–activity relationship still remains obscure in heterogeneous catalysis, such as the conversion of water (alkaline) or hydronium ions (acid) to hydrogen (hydrogen evolution reaction, HER). Here, we reveal that the fine control over the oxidation states of single-atom Pt catalysts through electronic metal–support interaction significantly modulates the catalytic activities in either acidic or alkaline HER. Combined with detailed spectroscopic and electrochemical characterizations, the structure–activity relationship is established by correlating the acidic/alkaline HER activity with the average oxidation state of single-atom Pt and the Pt–H/Pt–OH interaction. This study sheds light on the atomic-level mechanistic understanding of acidic and alkaline HER, and further provides guidelines for the rational design of high-performance single-atom catalysts.

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 Modulating electronic structure of metal-organic frameworks by introducing atomically dispersed Ru for efficient hydrogen evolution

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Yamei Sun ◽  
Ziqian Xue ◽  
Qinglin Liu ◽  
Yaling Jia ◽  
Yinle Li ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Density Functional ◽  
Metal Organic Frameworks ◽  
Catalyst Design ◽  
Single Atom ◽  
Hydrogen Energy ◽  
Structure Of Metal ◽  
Metal Organic

AbstractDeveloping high-performance electrocatalysts toward hydrogen evolution reaction is important for clean and sustainable hydrogen energy, yet still challenging. Herein, we report a single-atom strategy to construct excellent metal-organic frameworks (MOFs) hydrogen evolution reaction electrocatalyst (NiRu0.13-BDC) by introducing atomically dispersed Ru. Significantly, the obtained NiRu0.13-BDC exhibits outstanding hydrogen evolution activity in all pH, especially with a low overpotential of 36 mV at a current density of 10 mA cm−2 in 1 M phosphate buffered saline solution, which is comparable to commercial Pt/C. X-ray absorption fine structures and the density functional theory calculations reveal that introducing Ru single-atom can modulate electronic structure of metal center in the MOF, leading to the optimization of binding strength for H2O and H*, and the enhancement of HER performance. This work establishes single-atom strategy as an efficient approach to modulate electronic structure of MOFs for catalyst design.

scholarly journals MoS2/Ni3S2 nanorod arrays well-aligned on Ni foam: a 3D hierarchical efficient bifunctional catalytic electrode for overall water splitting

RSC Advances ◽  
2017 ◽  
Vol 7 (73) ◽  
pp. 46286-46296 ◽  
Author(s):  
Nan Zhang ◽  
Junyu Lei ◽  
Jianpeng Xie ◽  
Haiyan Huang ◽  
Ying Yu
Keyword(s):  
Hydrogen Evolution ◽  
Water Splitting ◽  
Oxygen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Oxygen Evolution Reaction ◽  
Nanorod Arrays ◽  
Ni Foam ◽  
Overall Water Splitting

A novel 3D hierarchical bifunctional catalytic electrode, MoS2/Ni3S2 nanorod arrays well-aligned on NF exhibited excellent electrocatalytic efficiency for hydrogen evolution reaction, oxygen evolution reaction and overall water splitting.

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