Electrochemical synthesis of propylene from carbon dioxide on copper nanocrystals
The conversion of carbon dioxide to value-added products using renewable electricity would
potentially help to address current climate concerns. The electrochemical reduction of …
potentially help to address current climate concerns. The electrochemical reduction of …
Hydrogen storage in liquid hydrogen carriers: recent activities and new trends
Efficient storage of hydrogen is one of the biggest challenges towards a potential hydrogen
economy. Hydrogen storage in liquid carriers is an attractive alternative to compression or …
economy. Hydrogen storage in liquid carriers is an attractive alternative to compression or …
Cr-SiNT, Mn-SiNT, Ti-C70 and Sc-CNT as Effective Catalysts for CO2 Reduction to CH3OH
DO Bokov, YF Mustafa, ZH Mahmoud, W Suksatan… - Silicon, 2022 - Springer
The possibility of conversion of CO2 to CH3OH on Ti-C70, Cr-SiNT, Sc-CNT and Mn-SiNT
as catalysts is examined through a specific mechanism in gas, DMSO, acetone and ethanol …
as catalysts is examined through a specific mechanism in gas, DMSO, acetone and ethanol …
Pulse Symmetry Impacts the C2 Product Selectivity in Pulsed Electrochemical CO2 Reduction
RC DiDomenico, T Hanrath - ACS Energy Letters, 2021 - ACS Publications
Pulsed electrochemical CO2 reduction has emerged as an attractive approach to direct
product selectivity and activity. The versatility of the pulse profile creates opportunities to …
product selectivity and activity. The versatility of the pulse profile creates opportunities to …
Anionic Coordination Control in Building Cu‐Based Electrocatalytic Materials for CO2 Reduction Reaction
H Chen, P Mo, J Zhu, X Xu, Z Cheng, F Yang, Z Xu… - Small, 2024 - Wiley Online Library
Renewable energy‐driven conversion of CO2 to value‐added fuels and chemicals via
electrochemical CO2 reduction reaction (CO2RR) technology is regarded as a promising …
electrochemical CO2 reduction reaction (CO2RR) technology is regarded as a promising …
Surface Engineering of Copper Catalyst through CO* Adsorbate
The electrochemical reduction of CO2 with Cu-based catalysts depends intimately on the
instantaneous local chemical environment of the catalyst–electrolyte interface. This …
instantaneous local chemical environment of the catalyst–electrolyte interface. This …
Theoretical Investigation of the Adsorbate and Potential‐Induced Stability of Cu Facets During Electrochemical CO2 and CO Reduction
The activity and product selectivity of electrocatalysts for reactions like the carbon dioxide
reduction reaction (CO2RR) are intimately dependent on the catalyst's structure and …
reduction reaction (CO2RR) are intimately dependent on the catalyst's structure and …
Solvation Free Energies from Machine Learning Molecular Dynamics
N Bonnet, N Marzari - Journal of Chemical Theory and …, 2024 - ACS Publications
The present work proposes an extension to the approach of [Xi, C; et al. J. Chem. Theory
Comput. 2022, 18, 6878] to calculate ion solvation free energies from first-principles (FP) …
Comput. 2022, 18, 6878] to calculate ion solvation free energies from first-principles (FP) …
A Hybrid Quantum–Classical Study of Ion Adsorption at the Copper Electrode
We present a set of computational studies that surveys the molecular structure and
thermodynamics of simple ions at the electrode–electrolyte interface. A hybrid quantum …
thermodynamics of simple ions at the electrode–electrolyte interface. A hybrid quantum …
Nonaqueous Solvent Adsorption on Transition Metal Surfaces with Density Functional Theory: Interaction of N,N-Dimethylformamide (DMF), Tetrahydrofuran (THF) …
Interfaces between solvents and transition metals play a critical role in many catalytic and
electrochemical systems. In this work, we use density functional theory (DFT) to study the …
electrochemical systems. In this work, we use density functional theory (DFT) to study the …