Theoretical Advances in Understanding and Designing the Active Sites for Hydrogen Evolution Reaction DOI
Fang Sun, Qing Tang, De‐en Jiang

et al.

ACS Catalysis, Journal Year: 2022, Volume and Issue: 12(14), P. 8404 - 8433

Published: June 30, 2022

As a fundamental step of water splitting and stepping stone toward exploring other multielectron transfer processes, the electrocatalytic hydrogen evolution reaction (HER) is an ideal model for both understanding electrocatalyst design. Here, we review fundamentals recent developments theoretical insights into HER, covering mechanistic aspects, key activity descriptors, local environment considerations, advances beyond computational electrode. Although it experimentally challenging to explore active sites mechanisms in process, show great potential identifying mechanisms. In this Review, especially focus depth on revealing designing HER. Major challenges ahead will also be discussed at end Review.

Language: Английский

Design concept for electrocatalysts DOI
Yao Wang, Xiaobo Zheng, Dingsheng Wang

et al.

Nano Research, Journal Year: 2021, Volume and Issue: 15(3), P. 1730 - 1752

Published: Sept. 4, 2021

Language: Английский

Citations

488

Theory-oriented screening and discovery of advanced energy transformation materials in electrocatalysis DOI Creative Commons
Hongyu Jing, Peng Zhu, Xiaobo Zheng

et al.

Advanced Powder Materials, Journal Year: 2021, Volume and Issue: 1(1), P. 100013 - 100013

Published: Nov. 15, 2021

Various metal-based electrocatalysts from nanocrystals, to clusters and single-atoms, have been well-discovered towards high-efficient power devices electrocatalytic conversion. To accelerate energy transformation materials discovery, developing high-throughput DFT calculations machine-learning techniques is of great necessity. This review comprehensively outlines the latest progress theory-guided design advanced materials. Especially, we focus on study single atoms in various devices, such as fuel cell (oxygen reduction reaction, ORR; acid oxidation reaction; alcohol reaction), other reactions for energy-related conversion small molecules, H2O2 evolution (2e− ORR), water splitting (H2 reaction/O2 HER/OER), N2 reaction (NRR), CO2 (CO2RR). Firstly, electronic structure, interaction mechanism, activation path are discussed provide an overall blueprint electrocatalysis batteries mentioned above. Thereafter, experimental synthesis strategies, structural recognition, performance figured out. Finally, some viewpoints into current issues future concept provided.

Language: Английский

Citations

376

Electrocatalysis of Single-Atom Sites: Impacts of Atomic Coordination DOI
Bingzhang Lu, Qiming Liu, Shaowei Chen

et al.

ACS Catalysis, Journal Year: 2020, Volume and Issue: 10(14), P. 7584 - 7618

Published: June 11, 2020

Single metal atoms embedded within select supporting matrices have shown great potential in the development of high-efficiency, low-cost electrocatalysts because maximal atom utilization and mass activity. As single are stabilized by coordination bonds with substrate, strong metal–support interactions can be exploited for ready manipulation electrocatalytic activity selectivity toward target reactions. However, most single-atom catalysts (SACs) prepared pyrolysis contain a wide range structures. Resolving atomic configurations moieties represents critical first step establishment an unambiguous correlation between SAC structure In this Review, we summarize recent progress studies electrocatalysts, focus on impacts sites activities series reactions that important various electrochemical energy technologies, such as hydrogen evolution reaction, oxygen reduction nitrogen CO2 so on. The survey entails SACs, from noble metals (e.g., Pt, Pd, Ru, Ir, Au, etc.) to non-noble Fe, Co, Ni, Cu, etc.), supported variety substrate materials pristine doped carbon, metal, oxide, sulfide, etc.). Finally, Review concludes perspective highlighting promises challenges further SACs context chemistry.

Language: Английский

Citations

338

Microenvironment modulation of single-atom catalysts and their roles in electrochemical energy conversion DOI Creative Commons
Xuning Li, Linghui Liu,

Xinyi Ren

et al.

Science Advances, Journal Year: 2020, Volume and Issue: 6(39)

Published: Sept. 24, 2020

Microenvironment engineering of single-atom catalysts paves the way toward efficient electrochemical energy conversion.

Language: Английский

Citations

320

Atomic heterointerface engineering overcomes the activity limitation of electrocatalysts and promises highly-efficient alkaline water splitting DOI
Qiucheng Xu, Jiahao Zhang, Haoxuan Zhang

et al.

Energy & Environmental Science, Journal Year: 2021, Volume and Issue: 14(10), P. 5228 - 5259

Published: Jan. 1, 2021

This review summarizes the recent progress of atomic heterointerface engineering to overcome activity limitation electrocatalysts for water splitting and elaborates its electron effect ensemble effect, etc.

Language: Английский

Citations

317

Regulations of active moiety in single atom catalysts for electrochemical hydrogen evolution reaction DOI Open Access
Peng Zhu, Xiang Xiong, Dingsheng Wang

et al.

Nano Research, Journal Year: 2022, Volume and Issue: 15(7), P. 5792 - 5815

Published: May 4, 2022

Language: Английский

Citations

314

Noble-metal single-atoms in thermocatalysis, electrocatalysis, and photocatalysis DOI

Fei-Fei Zhang,

Yinlong Zhu, Qian Lin

et al.

Energy & Environmental Science, Journal Year: 2021, Volume and Issue: 14(5), P. 2954 - 3009

Published: Jan. 1, 2021

This review summarizes the recent advances about noble-metal single-atom catalysts in thermocatalysis, electrocatalysis, and photocatalysis.

Language: Английский

Citations

282

Non-carbon-supported single-atom site catalysts for electrocatalysis DOI
Xiaobo Zheng, Peng Li, Shi Xue Dou

et al.

Energy & Environmental Science, Journal Year: 2021, Volume and Issue: 14(5), P. 2809 - 2858

Published: Jan. 1, 2021

Non-carbon supported SACs were classified into eight categories based on the nature of their substrates for first time, and corresponding anchoring stabilization mechanisms have been systematically summarized discussed.

Language: Английский

Citations

271

A Review of Heteroatom Doped Materials for Advanced Lithium–Sulfur Batteries DOI
Jianli Wang, Wei‐Qiang Han

Advanced Functional Materials, Journal Year: 2021, Volume and Issue: 32(2)

Published: Oct. 7, 2021

Abstract High theoretical capacity and high energy density make lithium sulfur (Li‐S) batteries a competitive candidate for next‐generation storage systems. However, achieving the practical application of Li‐S is still huge challenge due to some inevitable obstacles. Poor conductivity active sulfur, large volume expansion cathode, severe shuttle effect polysulfides (LiPSs) greatly limit cells lead unsatisfied cycle performance. Therefore, various host materials have been proposed investigated, which should possess good conductivity, porous structure, strong immobilization capability LiPSs. Unfortunately, it incompetent cover all advantages mentioned above pristine materials. Heteroatom doping fundamentally manipulates electronic structure polarity materials, leading unprecedented properties, subsequent enhancement in electrochemical This review systematically summarizes recent progress heteroatom (metal single atom non‐metal atom) including carbon graphitic nitride (g‐C 3 N 4 ), metal compounds as ideal host. Furthermore, relationship between unique features originated from enhanced performance comprehensively discussed.

Language: Английский

Citations

244

Single Atom Catalysts for Fuel Cells and Rechargeable Batteries: Principles, Advances, and Opportunities DOI
Yuchao Wang, Fulu Chu, Jian Zeng

et al.

ACS Nano, Journal Year: 2021, Volume and Issue: 15(1), P. 210 - 239

Published: Jan. 6, 2021

Owing to the energy crisis and environmental pollution, developing efficient robust electrochemical storage (or conversion) systems is urgently needed but still very challenging. Next-generation conversion devices, mainly including fuel cells, metal-air batteries, metal-sulfur metal-ion have been viewed as promising candidates for future large-scale applications. All these are operated through one type of chemical mechanism, which currently limited by poor reaction kinetics. Single atom catalysts (SACs) perform maximum efficiency well-defined active sites. They employed electrode components enhance redox kinetics adjust interactions at interface, boosting device performance. In this Review, we briefly summarize related background knowledge, motivation working principle toward next-generation Zn-air Al-air Li-air Li-CO2 Li-S Na-S batteries. While pointing out remaining challenges in each system, clarify importance SACs solve development bottlenecks. Then, further explore current progress various systems. Finally, opportunities perspectives devices discussed.

Language: Английский

Citations

243