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cond-mat.mtrl-sci2025
A first-principles theoretical study on two-dimensional MX and MX metal halides: bandgap engineering, magnetism, and catalytic descriptors
Yu-Hsiu Lin, Daniel Maldonado-Lopez, Jose L. Mendoza-Cortes
Metal halides, particularly MX and MX compounds (where M represents metal elements and X = F, Cl, Br, I), have attracted significant interest due to their diverse electronic an…
cond-mat.mtrl-sci2025
Enhanced activity in layered-metal-oxide-based oxygen evolution catalysts by layer-by-layer modulation of metal ion identity
Ran Ding, Daniel Maldonado-Lopez, Jacob E. Henebry +2
Few-layered potassium nickel and cobalt oxides show drastic differences in catalytic activity based on metal ion preorganization. Uniform compositions $[(\mathrm{CoO}_2/\mathrm{K})…