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 …
Combining First-Principles Kinetics and Experimental Data to Establish Guidelines for Product Selectivity in Electrochemical CO2 Reduction
The electrochemical reduction of CO2 is envisioned as one of the most promising ways to
close the industrial carbon cycle by producing high-value chemicals and fuels using …
close the industrial carbon cycle by producing high-value chemicals and fuels using …
The Missing Link for Electrochemical CO2 Reduction: Classification of CO vs HCOOH Selectivity via PCA, Reaction Pathways, and Coverage Analysis
O Christensen, A Bagger, J Rossmeisl - ACS Catalysis, 2024 - ACS Publications
For the electrochemical CO2 reduction reaction, different metal catalysts preferentially
produce different products. However, the differences between the metals' reaction pathways …
produce different products. However, the differences between the metals' reaction pathways …
Theoretical insight on reactivity trends in CO 2 electroreduction across transition metals
Density Functional Theory (DFT) based models have been widely applied towards
investigating and correlating the reaction mechanism of CO2 electroreduction (ER) to the …
investigating and correlating the reaction mechanism of CO2 electroreduction (ER) to the …
Theories for Electrolyte Effects in CO2 Electroreduction
Conspectus Electrochemical CO2 reduction (eCO2R) enables the conversion of waste CO2
to high-value fuels and commodity chemicals powered by renewable electricity, thereby …
to high-value fuels and commodity chemicals powered by renewable electricity, thereby …
Structure‐Sensitivity and Electrolyte Effects in CO2 Electroreduction: From Model Studies to Applications
P Sebastián‐Pascual, S Mezzavilla… - …, 2019 - Wiley Online Library
Aiming to reduce anthropogenic CO2 emissions, there is an urgent demand to develop more
efficient and affordable technologies which convert CO2 into valuable feedstock molecules …
efficient and affordable technologies which convert CO2 into valuable feedstock molecules …
Perspective on Theoretical Models for CO2 Electrochemical Reduction
The electrochemical reduction of CO2 (CO2RR) is a promising alternative to achieve carbon
neutrality and the sustainable development of human civilization. Rational design of …
neutrality and the sustainable development of human civilization. Rational design of …
[HTML][HTML] In Situ/Operando Characterization Techniques of Electrochemical CO2 Reduction
Electrocatalytic conversion of carbon dioxide to valuable chemicals and fuels driven by
renewable energy plays a crucial role in achieving net-zero carbon emissions …
renewable energy plays a crucial role in achieving net-zero carbon emissions …
Customizing CO2 Electroreduction by Pulse-Induced Anion Enrichment
Electrochemically converting CO2 into specified high-value products is critical for carbon
neutral economics. However, governing the product distribution of the CO2 electroreduction …
neutral economics. However, governing the product distribution of the CO2 electroreduction …
Toward Engineering of Solution Microenvironments for the CO2 Reduction Reaction: Unraveling pH and Voltage Effects from a Combined Density-Functional …
Engineering the electrolyte microenvironment represents an attractive route to tuning the
selectivity of electrocatalytic reactions beyond catalyst composition and morphology …
selectivity of electrocatalytic reactions beyond catalyst composition and morphology …