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Formation and Stability of Low-Dimensional Structures for Group VIIIB and IB Transition Metals: The Role of sd⁴ Hybridization.

ABSTRACT: A quasi-sd⁴ hybridization state for group VIIIB and IB face-centered cubic (FCC) transition metals in low-dimensional nanostructures is identified, in contrast to the sd⁵ hybridization state in bulk. For Au, a novel three-shelled nanowire is designed with a hexagonal close-packed core in the sd⁵ hybridization, wrapped by FCC-(111) shell that adopts the quasi-sd⁴ hybridization. This new nanostructure exhibits remarkable stability and electronic properties.

SUBMITTER: Yang J

PROVIDER: S-EPMC5115452 | biostudies-literature | 2016 Apr

REPOSITORIES: biostudies-literature

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Formation and Stability of Low-Dimensional Structures for Group VIIIB and IB Transition Metals: The Role of sd4 Hybridization.

Yang Jianhui J Zhang Qiuju Q Chen Liang L Wang Gang G Chen Xiaolong X

Advanced science (Weinheim, Baden-Wurttemberg, Germany) 20160121 4

A quasi-sd4 hybridization state for group VIIIB and IB face-centered cubic (FCC) transition metals in low-dimensional nanostructures is identified, in contrast to the sd5 hybridization state in bulk. For Au, a novel three-shelled nanowire is designed with a hexagonal close-packed core in the sd5 hybridization, wrapped by FCC-(111) shell that adopts the quasi-sd4 hybridization. This new nanostructure exhibits remarkable stability and electronic p ...[more]

PMID: 27981017

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