文章基本信息

标题：Reconstructing a solid-solid phase transformation pathway in CdSe nanosheets with associated soft ligands
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作者：Zhongwu Wang ; Xiao-Dong Wen ; Roald Hoffmann 等
期刊名称：Proceedings of the National Academy of Sciences
印刷版ISSN：0027-8424
电子版ISSN：1091-6490
出版年度：2010
卷号：107
期号：40
页码：17119-17124
DOI：10.1073/pnas.1011224107
语种：English
出版社：The National Academy of Sciences of the United States of America
摘要：Integrated single-crystal-like small and wide-angle X-ray diffraction images of a CdSe nanosheet under pressure provide direct experimental evidence for the detailed pathway of transformation of the CdSe from a wurtzite to a rock-salt structure. Two consecutive planar atomic slips [(001) [<]110[>] in parallel and (102) [IMG]/medium/pnas.1011224107eq1.gif" ALT="Formula "> with a distortion angle of [~]40{degrees}] convert the wurtzite-based nanosheet into a saw-like rock-salt nanolayer. The transformation pressure is three times that in the bulk CdSe crystal. Theoretical calculations are in accord with the mechanism and the change in transformation pressure, and point to the critical role of the coordinated amines. Soft ligands not only increase the stability of the wurtzite structure, but also improve its elastic strength and fracture toughness. A ligand extension of 2.3 nm appears to be the critical dimension for a turning point in stress distribution, leading to the formation of wurtzite (001)/zinc-blende (111) stacking faults before rock-salt nucleation.
关键词：phase transition ; semiconductor ; dimensionality