Density Functional Study on the Structural, Electronic, and Magnetic Properties of 3d Transition-Metal-Doped Au5 Clusters
Author:
Affiliation:
1. School of Physics and Chemistry, and §Key Laboratory of Advanced Scientific Computation, Xihua University, Chengdu 610039, China
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp503391p
Reference67 articles.
1. Structural Evolution of Doped Gold Clusters: MAux− (M = Si, Ge, Sn; x = 5−8)
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3. Geometric, electronic, and optical properties of a boron-doped aluminum cluster of B2Al21-: A density functional theory study
4. First-principles calculations on the role of Ni-doping in Cun clusters: From geometric and electronic structures to chemical activities towards CO2
5. Structures and electronic properties of neutral (CuS)N clusters (N=1–6): A DFT approach
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