This dataset supplements the publication "Impact of Hydrogen Concentration for CO2 reduction on PdHx: A Combination study of Cluster Expansion and Kinetics Analysis" by Changzhi Ai, Jin Hyun Chang, Al
This work studies the electrocatalytic disproportionation of CO2 into CO and CO32– mediated by a [Mn-2,6-bis(1-(alkyl)imidazol-2-ylidene)pyridine]Br pincer complex. We identify three mechanistic sc
The data set has been generated using the open source GPAW package to study the energetics of CO2 reduction on Ag single crystal surfaces. The results have been published in the open access article: h
With the goal of improving previously reported Mn bipyridine electrocatalysts in terms of increased activity and reduced overpotential, a bulky bipyridine ligand, 6,6′-dimesityl-2,2′-bipyridine (mesbp
Interphases play a pivotal role in various electrochemical systems, significantly influencing performance in applications such as lithium-ion batteries by governing ion transport and electrochemical s
