Density functional theory studies of transition metal carbides and nitrides as electrocatalysts DOI
Dong Tian,

Steven R. Denny,

Kongzhai Li

et al.

Chemical Society Reviews, Journal Year: 2021, Volume and Issue: 50(22), P. 12338 - 12376

Published: Jan. 1, 2021

Transition metal carbides and nitrides are interesting non-precious materials that have been shown to replace or reduce the loading of precious metals for catalyzing several important electrochemical reactions. The purpose this review is summarize density functional theory (DFT) studies, describe reaction pathways, identify activity selectivity descriptors, present a future outlook in designing carbide nitride catalysts hydrogen evolution (HER), oxygen (OER), reduction (ORR), nitrogen (N2RR), CO2 (CO2RR) alcohol oxidation This topic high interest scientific communities working field electrocatalysis should provide theoretical guidance rational design improved electrocatalysts.

Language: Английский

Recent Advances in Electrocatalytic Hydrogen Evolution Using Nanoparticles DOI
Jing Zhu, Liangsheng Hu, Pengxiang Zhao

et al.

Chemical Reviews, Journal Year: 2019, Volume and Issue: 120(2), P. 851 - 918

Published: Oct. 28, 2019

Hydrogen fuel is considered as the cleanest renewable resource and primary alternative to fossil fuels for future energy supply. Sustainable hydrogen generation major prerequisite realize economy. The electrocatalytic evolution reaction (HER), vital step of water electrolysis H2 production, has been subject extensive study over past decades. In this comprehensive review, we first summarize fundamentals HER review recent state-of-the-art advances in low-cost high-performance catalysts based on noble non-noble metals, well metal-free electrocatalysts. We systemically discuss insights into relationship among catalytic activity, morphology, structure, composition, synthetic method. Strategies developing an effective catalyst, including increasing intrinsic activity active sites and/or number sites, are summarized highlighted. Finally, challenges, perspectives, research directions electrocatalysis featured.

Language: Английский

Citations

2442

Support and Interface Effects in Water‐Splitting Electrocatalysts DOI
Jian Zhang, Qiuyu Zhang, Xinliang Feng

et al.

Advanced Materials, Journal Year: 2019, Volume and Issue: 31(31)

Published: March 6, 2019

Water-splitting electrolyzers that can convert electricity into storable hydrogen are a fascinating and scalable energy conversion technology for the utilization of renewable energies. To speed up sluggish oxygen evolution reactions (HER OER), electrocatalysts essential reducing their kinetic barriers eventually improving efficiency. As efficient strategies modulating binding ability water-splitting intermediates on electrocatalyst surface, support effect interface drawing growing attention. Herein, some recent research progress effects in HER, OER, overall is highlighted. Specifically, correlation between electronic interaction constituent components electrocatalytic performance profoundly discussed, with aim advancing development highly electrocatalysts, which may replace noble-metal-based bring practically widespread reality.

Language: Английский

Citations

778

Recent Advances and Prospective in Ruthenium-Based Materials for Electrochemical Water Splitting DOI
Jie Yu, Qijiao He, Guangming Yang

et al.

ACS Catalysis, Journal Year: 2019, Volume and Issue: 9(11), P. 9973 - 10011

Published: Sept. 25, 2019

As a highly appealing technology for hydrogen generation, water electrolysis including oxygen evolution reaction (OER) at the anode and (HER) cathode largely depends on availability of efficient electrocatalysts. Accordingly, over past years, much effort has been made to develop various electrocatalysts with superior performance reduced cost. Among them, ruthenium (Ru)-based materials OER HER are very promising because their prominent catalytic activity, pH-universal application, cheapest price among precious metal family, so on. Herein, recent advances in this hot research field comprehensively reviewed. A general description about splitting is presented understand mechanism proposed scaling relations toward activities, key stability issues Ru-based further given. Subsequently, Ru-involving introduced classified into different groups improving or optimizing electrocatalytic properties, special focus several significant bifunctional along simulated electrolyzer. Finally, perspective existing challenges future progress catalysts provided. The main aim here shed some light design construction emerging energy storage conversion technologies.

Language: Английский

Citations

640

Recent advances in transition metal-based electrocatalysts for alkaline hydrogen evolution DOI
Zhijie Chen, Xiaoguang Duan, Wei Wei

et al.

Journal of Materials Chemistry A, Journal Year: 2019, Volume and Issue: 7(25), P. 14971 - 15005

Published: Jan. 1, 2019

Transition metal-based electrocatalysts for alkaline hydrogen evolution reaction.

Language: Английский

Citations

637

Rational Design of Nanoarray Architectures for Electrocatalytic Water Splitting DOI
Jungang Hou, Yunzhen Wu, Bo Zhang

et al.

Advanced Functional Materials, Journal Year: 2019, Volume and Issue: 29(20)

Published: Jan. 21, 2019

Abstract Electrochemical water splitting is recognized as a practical strategy for impelling the transformation of sustainable energy sources such solar from electricity to clean hydrogen fuel. To actualize large‐scale production, it paramount develop low‐cost, earth‐abundant, efficient, and stable electrocatalysts. Among those electrocatalysts, alternative architectural arrays grown on conductive substrates have been proven be highly efficient toward due large surface area, abundant active sites, synergistic effects between electrocatalysts substrates. Herein, advancement nanoarray architectures in electrocatalytic applications reviewed. The categories different nanoarrays reliable versatile synthetic approaches are summarized. A unique emphasis highlighted promising strategies enhance activities stability by component manipulation, heterostructure regulation, vacancy engineering. intrinsic mechanism analysis electronic structure optimization, intermediates' adsorption facilitation, coordination environments' amelioration also discussed with regard theoretical simulation situ identification. Finally, challenges opportunities valuable directions pathways outstanding performance provided conversion field, facilitating development systems.

Language: Английский

Citations

432

Designing Atomic Active Centers for Hydrogen Evolution Electrocatalysts DOI
Yongpeng Lei, Yuchao Wang, Yi Liu

et al.

Angewandte Chemie International Edition, Journal Year: 2020, Volume and Issue: 59(47), P. 20794 - 20812

Published: Jan. 8, 2020

The evolution of hydrogen from water using renewable electrical energy is a topic current interest. Pt/C exhibits the highest catalytic activity for H2 reaction (HER), but scarce supplies and high cost limit its large-scale application. Atomic active centers in single-atom catalysts, alloys, catalysts with two atom sorts exhibit maximum atomic efficiency, unique structure, exceptional HER. Interactions between well-defined sites supports are known to affect electron transfer dramatically accelerate reaction. This Review first highlights methods studying Then, different coordination configurations described. Active one metal atom, atoms as well nonmetal analyzed at scale. Finally, future research perspectives proposed.

Language: Английский

Citations

341

Interfacial Fe−O−Ni−O−Fe Bonding Regulates the Active Ni Sites of Ni‐MOFs via Iron Doping and Decorating with FeOOH for Super‐Efficient Oxygen Evolution DOI

Cheng‐Fei Li,

Lingjie Xie,

J. W. Zhao

et al.

Angewandte Chemie International Edition, Journal Year: 2022, Volume and Issue: 61(17)

Published: Feb. 11, 2022

The integration of Fe dopant and interfacial FeOOH into Ni-MOFs [Fe-doped-(Ni-MOFs)/FeOOH] to construct Fe-O-Ni-O-Fe bonding is demonstrated the origin remarkable electrocatalytic performance elucidated. X-ray absorption/photoelectron spectroscopy theoretical calculation results indicate that can facilitate distorted coordinated structure Ni site with a short nickel-oxygen bond low coordination number, promote redistribution Ni/Fe charge density efficiently regulate adsorption behavior key intermediates near-optimal d-band center. Here Fe-doped-(Ni-MOFs)/FeOOH shows superior catalytic for OER overpotential 210 mV at 15 mA cm-2 excellent stability ≈3 % attenuation after 120 h cycle test. This study provides novel strategy design high-performance Ni/Fe-based electrocatalysts in alkaline media.

Language: Английский

Citations

313

Perfecting electrocatalystsviaimperfections: towards the large-scale deployment of water electrolysis technology DOI
Shilong Jiao, Xianwei Fu, Shuangyin Wang

et al.

Energy & Environmental Science, Journal Year: 2021, Volume and Issue: 14(4), P. 1722 - 1770

Published: Jan. 1, 2021

A tuned electronic structure favors the electrocatalytic water splitting reactionviaaccelerating reaction kinetics, changing rate-determining step, and optimizing adsorption energy for intermediates; this is achievedviaintentionally incorporating imperfections into crystal lattices of electrocatalysts.

Language: Английский

Citations

301

Rational Design of Better Hydrogen Evolution Electrocatalysts for Water Splitting: A Review DOI
Fan Liu, Chengxiang Shi, Xiaolei Guo

et al.

Advanced Science, Journal Year: 2022, Volume and Issue: 9(18)

Published: April 18, 2022

Abstract The excessive dependence on fossil fuels contributes to the majority of CO 2 emissions, influencing climate change. One promising alternative is green hydrogen, which can be produced through water electrolysis from renewable electricity. However, variety and complexity hydrogen evolution electrocatalysts currently studied increases difficulty in integration catalytic theory, catalyst design preparation, characterization methods. Herein, this review first highlights principles for reaction (HER) electrocatalysts, presenting thermodynamics, kinetics, related electronic structural descriptors HER. Second, reasonable design, mechanistic understanding, performance enhancement are deeply discussed based intrinsic extrinsic effects. Third, recent advancements electrocatalytic splitting technology further briefly. Finally, challenges perspectives development highly efficient proposed.

Language: Английский

Citations

301

Two‐Dimensional Porous Molybdenum Phosphide/Nitride Heterojunction Nanosheets for pH‐Universal Hydrogen Evolution Reaction DOI
Ying Gu, Aiping Wu, Yanqing Jiao

et al.

Angewandte Chemie International Edition, Journal Year: 2020, Volume and Issue: 60(12), P. 6673 - 6681

Published: Dec. 18, 2020

Abstract Herein, we present a new strategy for the synthesis of 2D porous MoP/Mo 2 N heterojunction nanosheets based on pyrolysis [PMo 12 O 40 ] 3− ‐melamine (PMo ‐MA) nanosheet precursor from polyethylene glycol (PEG)‐mediated assembly route. The heterostructure are ca. 20 nm thick and have plentiful pores (<5 nm). These structure features offer advantages to promote HER activity, including favorable water dissociation kinetics around as confirmed by theoretical calculations, large accessible surface nanosheets, enhanced mass‐transport ability pores. Consequently, exhibit excellent activity with low overpotentials 89, 91 89 mV achieve current density 10 mA cm −2 in alkaline, neutral acidic electrolytes, respectively. performance is superior commercial Pt/C at >55 medium >190 alkaline medium.

Language: Английский

Citations

289