Towards molecular understanding of local chemical environment effects in electro- and photocatalytic CO2 reduction

A Wagner, CD Sahm, E Reisner - Nature Catalysis, 2020 - nature.com
Substantial progress has recently been made in the general understanding of the interfacial
CO2 reduction reaction (CO2RR) in electro-and photocatalysis, but the influence of the local …

Advances and challenges in understanding the electrocatalytic conversion of carbon dioxide to fuels

YY Birdja, E Pérez-Gallent, MC Figueiredo, AJ Göttle… - Nature Energy, 2019 - nature.com
The electrocatalytic reduction of carbon dioxide is a promising approach for storing (excess)
renewable electricity as chemical energy in fuels. Here, we review recent advances and …

Progress and Perspectives of Electrochemical CO2 Reduction on Copper in Aqueous Electrolyte

S Nitopi, E Bertheussen, SB Scott, X Liu… - Chemical …, 2019 - ACS Publications
To date, copper is the only heterogeneous catalyst that has shown a propensity to produce
valuable hydrocarbons and alcohols, such as ethylene and ethanol, from electrochemical …

pH effects on the electrochemical reduction of CO(2) towards C2 products on stepped copper

X Liu, P Schlexer, J Xiao, Y Ji, L Wang… - Nature …, 2019 - nature.com
We present a microkinetic model for CO (2) reduction (CO (2) R) on Cu (211) towards C2
products, based on energetics estimated from an explicit solvent model. We show that the …

On the origin of the elusive first intermediate of CO2 electroreduction

IV Chernyshova, P Somasundaran… - Proceedings of the …, 2018 - National Acad Sciences
We resolve the long-standing controversy about the first step of the CO2 electroreduction to
fuels in aqueous electrolytes by providing direct spectroscopic evidence that the first …

C 2 N-graphene supported single-atom catalysts for CO 2 electrochemical reduction reaction: mechanistic insight and catalyst screening

X Cui, W An, X Liu, H Wang, Y Men, J Wang - Nanoscale, 2018 - pubs.rsc.org
Single-atom catalysts (SACs) have emerged as an excellent platform for enhancing catalytic
performance. Inspired by the recent experimental synthesis of nitrogenated holey 2D …

Electrochemical CO2 Reduction over Metal-/Nitrogen-Doped Graphene Single-Atom Catalysts Modeled Using the Grand-Canonical Density Functional Theory

P Brimley, H Almajed, Y Alsunni, AW Alherz… - ACS …, 2022 - ACS Publications
Renewably driven, electrochemical conversion of carbon dioxide into value-added products
is expected to be a critical tool in global decarbonization. However, theoretical studies …

Combining First-Principles Kinetics and Experimental Data to Establish Guidelines for Product Selectivity in Electrochemical CO2 Reduction

G Kastlunger, HH Heenen, N Govindarajan - ACS Catalysis, 2023 - ACS Publications
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 …

Deep insight of CO2 reduction reaction mechanism through experimental and theoretical anticipations

SA Ali, I Sadiq, T Ahmad - Materials Today Sustainability, 2023 - Elsevier
Massive reliance on fossil fuels not only contaminates air and water but also accelerates
dreadful CO 2 emission ensuing in deleterious climate change and its cataclysmic effects on …

Does the breaking of adsorption-energy scaling relations guarantee enhanced electrocatalysis?

N Govindarajan, JM García-Lastra, EJ Meijer… - Current Opinion in …, 2018 - Elsevier
Highlights•Adsorption-energy scaling relations may limit the efficiency of
electrocatalysts.•For O 2 evolution/reduction,* OOH vs* OH scaling is believed to cause …