Emerging atomistic modeling methods for heterogeneous electrocatalysis

Z Levell, J Le, S Yu, R Wang, S Ethirajan… - Chemical …, 2024 - ACS Publications
Heterogeneous electrocatalysis lies at the center of various technologies that could help
enable a sustainable future. However, its complexity makes it challenging to accurately and …

Recent advances in electrocatalysts for proton exchange membrane fuel cells and alkaline membrane fuel cells

F **ao, YC Wang, ZP Wu, G Chen, F Yang… - Advanced …, 2021 - Wiley Online Library
The rapid progress of proton exchange membrane fuel cells (PEMFCs) and alkaline
exchange membrane fuel cells (AMFCs) has boosted the hydrogen economy concept via …

A pyrolysis-free Ni/Fe bimetallic electrocatalyst for overall water splitting

Y Zang, DQ Lu, K Wang, B Li, P Peng, YQ Lan… - Nature …, 2023 - nature.com
Catalysts capable of electrochemical overall water splitting in acidic, neutral, and alkaline
solution are important materials. This work develops bifunctional catalysts with single atom …

Various defects in graphene: a review

MD Bhatt, H Kim, G Kim - RSC advances, 2022 - pubs.rsc.org
Pristine graphene has been considered one of the most promising materials because of its
excellent physical and chemical properties. However, various defects in graphene produced …

Atomic site electrocatalysts for water splitting, oxygen reduction and selective oxidation

D Zhao, Z Zhuang, X Cao, C Zhang, Q Peng… - Chemical Society …, 2020 - pubs.rsc.org
Electrocatalysis plays a central role in clean energy conversion, enabling a number of
processes for future sustainable technologies. Atomic site electrocatalysts (ASCs), including …

Metal Alloys‐Structured Electrocatalysts: Metal–Metal Interactions, Coordination Microenvironments, and Structural Property–Reactivity Relationships

C Yang, Y Gao, T Ma, M Bai, C He, X Ren… - Advanced …, 2023 - Wiley Online Library
Metal alloys‐structured electrocatalysts (MAECs) have made essential contributions to
accelerating the practical applications of electrocatalytic devices in renewable energy …

Single-atom Rh/N-doped carbon electrocatalyst for formic acid oxidation

Y **ong, J Dong, ZQ Huang, P **n, W Chen… - Nature …, 2020 - nature.com
To meet the requirements of potential applications, it is of great importance to explore new
catalysts for formic acid oxidation that have both ultra-high mass activity and CO resistance …

A review of oxygen reduction mechanisms for metal-free carbon-based electrocatalysts

R Ma, G Lin, Y Zhou, Q Liu, T Zhang, G Shan… - npj Computational …, 2019 - nature.com
The sluggish kinetics of Oxygen Reduction Reaction (ORR) at the cathode in proton
exchange membrane fuel cells or metal-air batteries requires highly effective and stable …

Catalysis with two-dimensional materials confining single atoms: concept, design, and applications

Y Wang, J Mao, X Meng, L Yu, D Deng, X Bao - Chemical reviews, 2018 - ACS Publications
Two-dimensional materials and single-atom catalysts are two frontier research fields in
catalysis. A new category of catalysts with the integration of both aspects has been rapidly …

Extreme environmental thermal shock induced dislocation‐rich Pt nanoparticles boosting hydrogen evolution reaction

S Liu, Y Shen, Y Zhang, B Cui, S **, J Zhang… - Advanced …, 2022 - Wiley Online Library
Crystal structure engineering of nanomaterials is crucial for the design of electrocatalysts.
Inducing dislocations is an efficient approach to generate strain effects in nanomaterials to …