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

来源：

NANO LETTERS | 2012年 / 12卷 / 02期

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.

引用

页码：704 / 708

页数：5

共 35 条

[1] Giant Piezoelectric Size Effects in Zinc Oxide and Gallium Nitride Nanowires. A First Principles Investigation [J].

Agrawal, Ravi ;

Espinosa, Horacio D. .

NANO LETTERS, 2011, 11 (02) :786-790

[2] Perspectives on the physical chemistry of semiconductor nanocrystals [J].

Alivisatos, AP .

JOURNAL OF PHYSICAL CHEMISTRY, 1996, 100 (31) :13226-13239

[3]

Bader R. F. W., 1994, ATOMS MOL QUANTUM TH

[4] Resolving the Structure of Active Sites on Platinum Catalytic Nanoparticles [J].

Chang, Lan Yun ;

Barnard, Amanda S. ;

Gontard, Lionel Cervera ;

Dunin-Borkowski, Rafal E. .

NANO LETTERS, 2010, 10 (08) :3073-3076

[5] Size dependence of Young's modulus in ZnO nanowires [J].

Chen, CQ ;

Shi, Y ;

Zhang, YS ;

Zhu, J ;

Yan, YJ .

PHYSICAL REVIEW LETTERS, 2006, 96 (07)

[6]

Cowley JohnMaxwell., 1975, DIFFRACTION PHYS

[7] Large Surface Dipole Moments in ZnO Nanorods [J].

Dag, S. ;

Wang, Shuzhi ;

Wang, Lin-Wang .

NANO LETTERS, 2011, 11 (06) :2348-2352

[8] Profile imaging of reconstructed polar and non-polar surfaces of ZnO [J].

Ding, Yong ;

Wang, Zhong Lin .

SURFACE SCIENCE, 2007, 601 (02) :425-433

[9] CALCULATION OF LOW-ENERGY-ELECTRON-DIFFRACTION INTENSITIES FROM ZNO (1010) .2. INFLUENCE OF CALCULATIONAL PROCEDURE, MODEL POTENTIAL, AND 2ND-LAYER STRUCTURAL DISTORTIONS [J].

DUKE, CB ;

MEYER, RJ ;

PATON, A ;

MARK, P .

PHYSICAL REVIEW B, 1978, 18 (08) :4225-4240

[10] ANGLE-RESOLVED PHOTOEMISSION FROM POLAR AND NON-POLAR ZINC-OXIDE SURFACES [J].

GOPEL, W ;

POLLMANN, J ;

IVANOV, I ;

REIHL, B .

PHYSICAL REVIEW B, 1982, 26 (06) :3144-3150

← 1 2 3 4 →