Toward Excellence in Photocathode Engineering for Photoelectrochemical CO2 Reduction: Design Rationales and Current Progress

LK Putri, BJ Ng, WJ Ong, SP Chai… - Advanced Energy …, 2022 - Wiley Online Library
Photoelectrochemical CO2 reduction reaction (PEC CO2RR) is a promising technology
which offers the possibility of a carbon‐neutral solar fuel production via artificial …

Multiscale Modeling of CO2 Electrochemical Reduction on Copper Electrocatalysts: A Review of Advancements, Challenges, and Future Directions

R Gholizadeh, M Pavlin, M Huš, B Likozar - ChemSusChem, 2025 - Wiley Online Library
Although CO2 contributes significantly to global warming, it also offers potential as a raw
material for the production of hydrocarbons such as CH4, C2H4 and CH3OH …

[HTML][HTML] Optimum Cu nanoparticle catalysts for CO2 hydrogenation towards methanol

X Zhang, JX Liu, B Zijlstra, IAW Filot, Z Zhou, S Sun… - Nano Energy, 2018 - Elsevier
Understanding the mechanism of CO 2 hydrogenation to methanol is important in the
context of renewable energy storage from societal and technological point of view. We use …

Electrochemical Reduction of CO2 using Solid Oxide Electrolysis Cells: Insights into Catalysis by Nonstoichiometric Mixed Metal Oxides

E Tezel, A Whitten, G Yarema, R Denecke… - ACS …, 2022 - ACS Publications
Selective electrochemical reduction of CO2 using renewable energy sources to create
platform molecules for synthesis of fuels and chemicals has become a contemporary …

In Situ Scanning Tunneling Microscopy of Cobalt‐Phthalocyanine‐Catalyzed CO2 Reduction Reaction

X Wang, ZF Cai, YQ Wang, YC Feng… - Angewandte Chemie …, 2020 - Wiley Online Library
We report a molecular investigation of a cobalt phthalocyanine (CoPc)‐catalyzed CO2
reduction reaction by electrochemical scanning tunneling microscopy (ECSTM). An ordered …

Mechanistic Insight into C–C Coupling over Fe–Cu Bimetallic Catalysts in CO2 Hydrogenation

X Nie, H Wang, MJ Janik, Y Chen, X Guo… - The Journal of …, 2017 - ACS Publications
Density functional theory (DFT) calculations were carried out to investigate the mechanism
of CO2 hydrogenation in production of C1 and C2 hydrocarbons over Cu–Fe bimetallic …

Superhydrophobic nanocontainers for passive and active corrosion protection

Y Zhao, T Xu, JH Zhou, JM Hu - Chemical Engineering Journal, 2022 - Elsevier
A superhydrophobic metal organic framework (MOF) nanocontainer strategy, other than
conventional hydrophilic MOF nanocontainer process, was proposed for anticorrosion …

Computational Investigation of Fe–Cu Bimetallic Catalysts for CO2 Hydrogenation

X Nie, H Wang, MJ Janik, X Guo… - The Journal of Physical …, 2016 - ACS Publications
Density functional theory (DFT) calculations were carried out to investigate Fe–Cu bimetallic
catalysts for the adsorption, activation, and initial hydrogenation of CO2. CO2 adsorption …

Nanoindentation in alumina coated Al: Molecular dynamics simulations and experiments

HT Luu, S Raumel, F Dencker, M Wurz… - Surface and Coatings …, 2022 - Elsevier
Oxygen is often a significant disruptive factor in many production engineering processes and
efforts have been made to limit or remove these oxide layers during manufacturing …

Graphene–titanium interfaces from molecular dynamics simulations

AF Fonseca, T Liang, D Zhang… - … applied materials & …, 2017 - ACS Publications
Unraveling the physical and chemical properties of graphene–metal contacts is a key step
toward the development of graphitic electronic nanodevices. Although many studies have …