Prediction of Optimal Synthesis Conditions for the Formation of Ordered Double-Transition-Metal MXenes (o-MXenes)
NM Caffrey - The Journal of Physical Chemistry C, 2020 - ACS Publications
o-MXenes are a family of layered double-transition-metal carbides and nitrides with a
unique out-of-plane ordering of the two metal atoms. Their chemical versatility means they …
unique out-of-plane ordering of the two metal atoms. Their chemical versatility means they …
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 …
[HTML][HTML] Understanding ion-transfer reactions in silver electrodissolution and electrodeposition from first-principles calculations and experiments
The electrified aqueous/metal interface is critical in controlling the performance of energy
conversion and storage devices, but an atomistic understanding of even basic interfacial …
conversion and storage devices, but an atomistic understanding of even basic interfacial …
[HTML][HTML] High-Performance of Electrocatalytic CO2 Reduction on Defective Graphene-Supported Cu4S2 Cluster
Q Zhang, Y Li, H Zhu, B Suo - Catalysts, 2022 - mdpi.com
Electrochemical CO2 reduction reaction (CO2RR) to high-value chemicals is one of the most
splendid approaches to mitigating environmental threats and energy shortage. In this study …
splendid approaches to mitigating environmental threats and energy shortage. In this study …
Exploring the Mechanism of the Electrochemical Polymerization of CO2 to Hard Carbon over CeO2(110)
Conversion of CO2 to hard carbon is an interesting technology for the removal of carbon
dioxide from the atmosphere. Recently, it was shown that CeO2 can selectively catalyze this …
dioxide from the atmosphere. Recently, it was shown that CeO2 can selectively catalyze this …
Electrocatalytic Reduction Mechanisms of CO2 on MoS2 Edges Using Grand-Canonical DFT: From CO2 Adsorption to HCOOH or CO
MA Ramzan, R Favre, SN Steinmann… - The Journal of …, 2024 - ACS Publications
Efficiently converting carbon dioxide (CO2) into valuable fuels or chemicals represents one
of the great challenges at the core of current scientific research. Here, we report a DFT …
of the great challenges at the core of current scientific research. Here, we report a DFT …
[HTML][HTML] Theoretical Study on the Mechanism of CO* Electrochemical Reduction on Cu (111) under Constant Potential
S Mei, W Liang - Catalysts, 2023 - mdpi.com
In order to understand the mechanism of the electrochemical reduction of CO* on Cu (111),
which competitively generates two intermediates, CHO* and COH*, we performed a first …
which competitively generates two intermediates, CHO* and COH*, we performed a first …