共 35 条
Subangstrom Profile Imaging of Relaxed ZnO(10(1)over-bar0) Surfaces
被引:22
作者:
He, Mo-Rigen
[1
]
Yu, Rong
[1
]
Zhu, Jing
[1
]
机构:
[1] Tsinghua Univ, Dept Mat Sci & Engn, Adv Mat Lab, Beijing Natl Ctr Electron Microscopy, Beijing 100084, Peoples R China
基金:
中国国家自然科学基金;
关键词:
Surface structure;
relaxation;
ZnO;
transmission electron microscopy;
electromechanical properties;
TOTAL-ENERGY CALCULATIONS;
ZINC-OXIDE;
AB-INITIO;
ATOMIC-RESOLUTION;
POLAR;
CHEMISTRY;
NANOSTRUCTURES;
ADSORPTION;
D O I:
10.1021/nl2036172
中图分类号:
O6 [化学];
学科分类号:
0703 ;
摘要:
Relaxation is a most basic structural behavior of free surfaces, however, direct observation of surface relaxation remains challenging in atomic-scale. Herein, single-crystalline nanoislands formed in situ on ZnO nanowires and nanobelts are characterized using aberration-corrected transmission electron microscopy combined with ab initio calculations. For the first time, displacements of both Zn and O atoms in the fresh (10 (1) over bar0) facets are quantified to accuracies of several picometers and the under-surface distributions of contractions and rotations of Zn-O bonds are directly measured, which unambiguously verify the theoretically predicted relaxation of ZnO (10 (1) over bar0) free surfaces. Finally, the surface relaxation is directly correlated with the size effects of electromechanical properties (e.g., elastic modulus and spontaneous polarization) in ZnO nanowires.
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页码:704 / 708
页数:5
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