First-principles calculations on the role of Ni-doping in \(\text{Cu}_{n}\) clusters: From geometric and electronic structures to chemical activities towards \(CO_{2}\)
DOI10.1016/J.PHYSLETA.2010.08.068zbMath1238.82038OpenAlexW1985564829WikidataQ57524427 ScholiaQ57524427MaRDI QIDQ418528
Publication date: 29 May 2012
Published in: Physics Letters. A (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1016/j.physleta.2010.08.068
electronic structurebimetallic clusterchemical activity towards \(CO_{2}\)d-band centerfirst-principles calculation
Selfadjoint operator theory in quantum theory, including spectral analysis (81Q10) Statistical mechanics of metals (82D35) Molecular physics (81V55) Electrochemistry (78A57)
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