Formation and Stability of Low‐Dimensional Structures for Group VIIIB and IB Transition Metals: The Role of sd4 Hybridization. Issue 4 (21st January 2016)

• Record Type: Journal Article
• Authors: Yang, Jianhui; Zhang, Qiuju; Chen, Liang; Wang, Gang; Chen, Xiaolong
• Is Part Of: Advanced science. Volume 3:Issue 4(2016:Apr.)
• Page Start: n/a
• Page End: n/a
• Publication Date: 2016-01-21
• Subjects: Au nanowires -- face‐centered cubic -- first principles -- sd hybridization -- transition metal nanostructures; Science -- Periodicals; 505
• DOI: 10.1002/advs.201500314
• Languages: English
• ISSNs: 2198-3844

Abstract

Abstract : A quasi‐sd 4 hybridization state for group VIIIB and IB face‐centered cubic (FCC) transition metals in low‐dimensional nanostructures is identified, in contrast to the sd 5 hybridization state in bulk. For Au, a novel three‐shelled nanowire is designed with a hexagonal close‐packed core in the sd 5 hybridization, wrapped by FCC‐(111) shell that adopts the quasi‐sd 4 hybridization. This new nanostructure exhibits remarkable stability and electronic properties.