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- Moon, Hoi Ri
- Functional Inorganic Nanomaterials Lab for Energy
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A Stair-Shaped Molecular Silver(0) Chain
- Author(s)
- Moon, Hoi Ri, Choi, Cheol Ho, Suh, Myunghyun Paik
- Issued Date
- 2008
- Citation
- ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, v.47, no.44, pp.8390 - 8393
- Abstract
- Bound in chains: The molecular Ag0 chain [Ag4py 2]n (py=C5H5N) is formed from two covalently linked infinite zigzag chains of Ag, in which Ag-Ag bonds alternate between long and short (see picture; blue Ag, gray C, orange N). Theoretical calculations indicate that partially positively (+0.35) and negatively (-0.30) charged Ag atoms are alternately located along the chain, which has a bandgap of 4.1 eV. (Figure Presented)
- Publisher
- WILEY-V C H VERLAG GMBH
- ISSN
- 1433-7851
- Keyword (Author)
- ab initio calculations, Ag-Ag bonds, cluster compounds, metal-atom chains, silver
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