CO2 Adsorption and Activation on the (110) Chalcopyrite Surfaces: A Dispersion-Corrected DFT + U Study | ACS Omega
Selectivity of MoNC sites for electrocatalytic N2 reduction: A function of the single atom position on the surface and local carbon topologies - ScienceDirect
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Unravelling the performance of oxycarbonyl-thiocarbamate collectors on chalcopyrite using first-principles calculations and micro-flotation recoveries - ScienceDirect