Water electrolysis
Electrochemistry has the potential to sustainably transform molecules with electrons
supplied by renewable electricity. It is one of many solutions towards a more circular …
supplied by renewable electricity. It is one of many solutions towards a more circular …
Machine learning for electrocatalyst and photocatalyst design and discovery
Electrocatalysts and photocatalysts are key to a sustainable future, generating clean fuels,
reducing the impact of global warming, and providing solutions to environmental pollution …
reducing the impact of global warming, and providing solutions to environmental pollution …
Bridging the complexity gap in computational heterogeneous catalysis with machine learning
Heterogeneous catalysis underpins a wide variety of industrial processes including energy
conversion, chemical manufacturing and environmental remediation. Significant advances …
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 …
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
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 …
to lower CO2 emissions while storing renewable electricity. Cu‐based catalysts have shown …
Modeling Operando Electrochemical CO2 Reduction
Since the seminal works on the application of density functional theory and the
computational hydrogen electrode to electrochemical CO2 reduction (eCO2R) and …
computational hydrogen electrode to electrochemical CO2 reduction (eCO2R) and …
C2+ Selectivity for CO2 Electroreduction on Oxidized Cu-Based Catalysts
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 …
pressing and important. There is, however, presently a poor understanding of selectivity …
Efficient CO2 electroreduction on facet-selective copper films with high conversion rate
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 …
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 …
(eCO2RR), as previously reviewed elsewhere, we herein extend the discussion to the …
Data‐driven machine learning for understanding surface structures of heterogeneous catalysts
The design of heterogeneous catalysts is necessarily surface‐focused, generally achieved
via optimization of adsorption energy and microkinetic modelling. A prerequisite is to ensure …
via optimization of adsorption energy and microkinetic modelling. A prerequisite is to ensure …