Challenges and opportunities in engineering the electronic structure of single-atom catalysts

V Giulimondi, S Mitchell, J Pérez-Ramírez - ACS catalysis, 2023 - ACS Publications
Controlling the electronic structure of transition-metal single-atom heterogeneous catalysts
(SACs) is crucial to unlocking their full potential. The ability to do this with increasing …

Rational design of better hydrogen evolution electrocatalysts for water splitting: a review

F Liu, C Shi, X Guo, Z He, L Pan, ZF Huang… - Advanced …, 2022 - Wiley Online Library
The excessive dependence on fossil fuels contributes to the majority of CO2 emissions,
influencing on the climate change. One promising alternative to fossil fuels is green …

Subnanometric Ru clusters with upshifted D band center improve performance for alkaline hydrogen evolution reaction

Q Hu, K Gao, X Wang, H Zheng, J Cao, L Mi… - Nature …, 2022 - nature.com
Subnanometric metal clusters usually have unique electronic structures and may display
electrocatalytic performance distinctive from single atoms (SAs) and larger nanoparticles …

Structured catalysts and catalytic processes: transport and reaction perspectives

C Pei, S Chen, D Fu, ZJ Zhao, J Gong - Chemical Reviews, 2024 - ACS Publications
The structure of catalysts determines the performance of catalytic processes. Intrinsically, the
electronic and geometric structures influence the interaction between active species and the …

Computational chemistry for water-splitting electrocatalysis

L Miao, W Jia, X Cao, L Jiao - Chemical Society Reviews, 2024 - pubs.rsc.org
Electrocatalytic water splitting driven by renewable electricity has attracted great interest in
recent years for producing hydrogen with high-purity. However, the practical applications of …

Theoretical advances in understanding and designing the active sites for hydrogen evolution reaction

F Sun, Q Tang, D Jiang - ACS Catalysis, 2022 - ACS Publications
As a fundamental step of water splitting and a step** stone toward exploring other
multielectron transfer processes, the electrocatalytic hydrogen evolution reaction (HER) is …

Strain engineering: a boosting strategy for photocatalysis

Y Miao, Y Zhao, S Zhang, R Shi, T Zhang - Advanced Materials, 2022 - Wiley Online Library
Whilst the photocatalytic technique is considered to be one of the most significant routes to
address the energy crisis and global environmental challenges, the solar‐to‐chemical …

Defective biphenylene as high-efficiency hydrogen evolution catalysts

Y Luo, Y He, Y Ding, L Zuo, C Zhong, Y Ma… - Inorganic …, 2023 - ACS Publications
Electrocatalysts play a pivotal role in advancing the application of water splitting for
hydrogen production. This research unveils the potential of defective biphenylenes as high …

Atomic hydrogen in electrocatalytic systems: generation, identification, and environmental applications

W Zheng, Y Liu, F Liu, Y Wang, N Ren, S You - Water Research, 2022 - Elsevier
Electrochemical reduction has emerged as a viable technology for the removal of a variety of
organic contaminants from water. Atomic hydrogen (H*) is the primary species generated in …

Stabilization of layered lithium-rich manganese oxide for anion exchange membrane fuel cells and water electrolysers

X Zhong, L Sui, M Yang, T Koketsu, M Klingenhof… - Nature Catalysis, 2024 - nature.com
The design of materials that efficiently catalyse the electrochemical reaction of molecular
oxygen to hydroxide ions is key to the development of electrochemical devices. Here we …