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Probing the structures and electronic properties of anionic and neutral BiAun−1,0 (n = 2–20) clusters: a pyramid-like BiAu13 cluster

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The geometric structures and electronic properties of bismuth-doped gold clusters, BiAun−1,0 (n = 2–20), are studied via a combination of the Crystal structure AnaLYsis by Particle Swarm Optimization structure prediction… Click to show full abstract

The geometric structures and electronic properties of bismuth-doped gold clusters, BiAun−1,0 (n = 2–20), are studied via a combination of the Crystal structure AnaLYsis by Particle Swarm Optimization structure prediction software and the density functional theory approach.

Keywords: anionic neutral; neutral biaun; structures electronic; probing structures; electronic properties; properties anionic

Journal Title: New Journal of Chemistry
Year Published: 2019

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