Understanding the Effect of Doping on Energetics and Electronic Structure for Au25, Ag25, and Au38 Clusters
| Autor: | Pratima Pandeya, Fahri Alkan, Christine M. Aikens |
|---|---|
| Rok vydání: | 2019 |
| Předmět: |
Materials science
Energetics Doping 02 engineering and technology Electronic structure 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences 0104 chemical sciences Surfaces Coatings and Films Electronic Optical and Magnetic Materials General Energy Chemical physics Density functional theory Physical and Theoretical Chemistry 0210 nano-technology |
| Zdroj: | The Journal of Physical Chemistry C. 123:9516-9527 |
| ISSN: | 1932-7455 1932-7447 |
| DOI: | 10.1021/acs.jpcc.9b00065 |
| Popis: | We investigate the doping process theoretically for singly doped MAu24, MAg24, and MAu37 (M = Ni, Pd, Pt, Cu, Ag/Au, Zn, Cd, Hg, Ga, In, and Tl) clusters using density functional theory (DFT). For ... |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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