Electrochemical CO 2 reduction on Cu single atom catalyst and Cu nanoclusters: an ab initio approach
JGR de la Cruz, M Fontecave - Physical Chemistry Chemical Physics, 2022 - pubs.rsc.org
The electrochemical CO2 reduction presents a sustainable route to the production of
chemicals such as ethylene or ethanol, however the design of selective catalysts is still …
chemicals such as ethylene or ethanol, however the design of selective catalysts is still …
Highly selective electrocatalytic CO2 reduction to ethanol by metallic clusters dynamically formed from atomically dispersed copper
Direct electrochemical conversion of CO2 to ethanol offers a promising strategy to lower
CO2 emissions while storing energy from renewable electricity. However, current …
CO2 emissions while storing energy from renewable electricity. However, current …
Calculations of the effect of catalyst size and structure on the electrocatalytic reduction of CO 2 on Cu nanoclusters
GR Weal, KI Guðmundsson, FD Mackenzie, JR Whiting… - Nanoscale, 2024 - pubs.rsc.org
The structure and catalytic properties of Cu nanoclusters of sizes between 55 and 147 atoms
were examined to understand if small Cu clusters could provide enhancement over …
were examined to understand if small Cu clusters could provide enhancement over …
Accessing the Nature of Active Sites and Particle Size Effect for Reduction of Carbon Dioxide over Copper-Based Catalysts
Although electrocatalytic conversion of CO2 (CO2ER) over bimetallic Cu-based catalysts
has been regarded as a promising and compelling route for the sustainable synthesis of …
has been regarded as a promising and compelling route for the sustainable synthesis of …
First-principles study of copper nanoclusters for enhanced electrochemical CO2 reduction to CH4
The conversion of carbon dioxide (CO 2) into usable hydrocarbon fuels is important for
recycling carbon resources and mitigating environmental problems. However, converting …
recycling carbon resources and mitigating environmental problems. However, converting …
Graphite-supported single copper catalyst for electrochemical CO2 reduction: A first-principles approach
CM Lee, TG Senthamaraikannan, DY Shin… - Computational and …, 2021 - Elsevier
First-principles study explores the catalytic performance of the Cu (1 1 1) and Cu/G catalysts
for the electrochemical CO 2 reduction using computational hydrogen electrode model. Two …
for the electrochemical CO 2 reduction using computational hydrogen electrode model. Two …
[HTML][HTML] Ab initio random structure searching and catalytic properties of copper-based nanocluster with Earth-abundant metals for the electrocatalytic CO2-to-CO …
AG Nabi, A Hussain, D Di Tommaso - Molecular Catalysis, 2022 - Elsevier
Understanding the effect of nano-structuring and metal doping on the properties of copper-
based clusters is crucial to developing effective catalysts for the electrochemical conversion …
based clusters is crucial to developing effective catalysts for the electrochemical conversion …
Cu-Based Single-Atom Catalysts Boost Electroreduction of CO2 to CH3OH: First-Principles Predictions
Electrochemical CO2 reduction reaction (CO2RR) to fuels represents one of the most
attractive approaches to mitigate our pressing energy and environmental threats. Cu is the …
attractive approaches to mitigate our pressing energy and environmental threats. Cu is the …
Thermochemical and electrochemical CO2 reduction on octahedral Cu nanocluster: Role of solvent towards product selectivity
There has been a major interest in the development of efficient catalysts for the
electrochemical reduction of CO 2 into useful chemicals and fuels. In this work, the …
electrochemical reduction of CO 2 into useful chemicals and fuels. In this work, the …
Ab initio study for late steps of CO 2 and CO electroreduction: from CHCO* toward C 2 products on Cu and CuZn nanoclusters
VK Ocampo-Restrepo, LG Verga… - Physical Chemistry …, 2023 - pubs.rsc.org
Electroreduction of CO2 to C2 products such as ethanol is motivated by its potential
application to satisfy global energy demand in a more sustainable and renewable way …
application to satisfy global energy demand in a more sustainable and renewable way …