Water electrolysis

AJ Shih, MCO Monteiro, F Dattila, D Pavesi… - Nature Reviews …, 2022 - nature.com
Electrochemistry has the potential to sustainably transform molecules with electrons
supplied by renewable electricity. It is one of many solutions towards a more circular …

Machine learning for electrocatalyst and photocatalyst design and discovery

H Mai, TC Le, D Chen, DA Winkler… - Chemical …, 2022 - ACS Publications
Electrocatalysts and photocatalysts are key to a sustainable future, generating clean fuels,
reducing the impact of global warming, and providing solutions to environmental pollution …

Bridging the complexity gap in computational heterogeneous catalysis with machine learning

T Mou, HS Pillai, S Wang, M Wan, X Han… - Nature Catalysis, 2023 - nature.com
Heterogeneous catalysis underpins a wide variety of industrial processes including energy
conversion, chemical manufacturing and environmental remediation. Significant advances …

Engineering Catalytic Interfaces in Cuδ+/CeO2-TiO2 Photocatalysts for Synergistically Boosting CO2 Reduction to Ethylene

T Wang, L Chen, C Chen, M Huang, Y Huang, S Liu… - ACS …, 2022 - ACS Publications
Photocatalytic CO2 conversion into a high-value-added C2 product is a highly challenging
task because of insufficient electron deliverability and sluggish C–C coupling kinetics …

Tailoring the Surface and Interface Structures of Copper‐Based Catalysts for Electrochemical Reduction of CO2 to Ethylene and Ethanol

Z Zhang, L Bian, H Tian, Y Liu, Y Bando, Y Yamauchi… - Small, 2022 - Wiley Online Library
Electrochemical CO2 reduction to valuable ethylene and ethanol offers a promising strategy
to lower CO2 emissions while storing renewable electricity. Cu‐based catalysts have shown …

Modeling Operando Electrochemical CO2 Reduction

F Dattila, RR Seemakurthi, Y Zhou, N López - Chemical Reviews, 2022 - ACS Publications
Since the seminal works on the application of density functional theory and the
computational hydrogen electrode to electrochemical CO2 reduction (eCO2R) and …

C2+ Selectivity for CO2 Electroreduction on Oxidized Cu-Based Catalysts

H Li, Y Jiang, X Li, K Davey, Y Zheng… - Journal of the …, 2023 - ACS Publications
Design for highly selective catalysts for CO2 electroreduction to multicarbon (C2+) fuels is
pressing and important. There is, however, presently a poor understanding of selectivity …

Efficient CO2 electroreduction on facet-selective copper films with high conversion rate

G Zhang, ZJ Zhao, D Cheng, H Li, J Yu, Q Wang… - Nature …, 2021 - nature.com
Tuning the facet exposure of Cu could promote the multi-carbon (C2+) products formation in
electrocatalytic CO2 reduction. Here we report the design and realization of a dynamic …

Microenvironment Engineering for the Electrocatalytic CO2 Reduction Reaction

JJ Lv, R Yin, L Zhou, J Li, R Kikas, T Xu… - Angewandte …, 2022 - Wiley Online Library
Rather than just focusing on the catalyst itself in the electrocatalytic CO2 reduction reaction
(eCO2RR), as previously reviewed elsewhere, we herein extend the discussion to the …

Data‐driven machine learning for understanding surface structures of heterogeneous catalysts

H Li, Y Jiao, K Davey, SZ Qiao - … Chemie International Edition, 2023 - Wiley Online Library
The design of heterogeneous catalysts is necessarily surface‐focused, generally achieved
via optimization of adsorption energy and microkinetic modelling. A prerequisite is to ensure …