Atomic Positional Versus Electronic Order in Semiconducting ZnSe Nanoparticles
Atomic Positional Versus Electronic Order in Semiconducting ZnSe Nanoparticles
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DOI：
10.1103/physrevlett.103.136802
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发表时间：
2009-09-25
影响因子：
8.6
通讯作者：
Chmelka, B. F.
中科院分区：
文献类型：
--
作者：
Cadars, S.;Smith, B. J.;Chmelka, B. F.
具有高度原子位置顺序的尺寸控制的ZnSe纳米粒子在其局部电子环境中表现出很大的尺寸依赖性变化。固体Se-77和Zn-67核磁共振谱显示，随着纳米颗粒尺寸的减小，Se-77和Zn-67环境的分布越来越广，与透射电子显微镜和x射线衍射显示的高度原子位置有序形成对比。核磁共振参数的第一性原理计算区分了从纳米颗粒表面传播的原子位置和电子无序，并产生了对现有有序和无序的见解。
Size-controlled ZnSe nanoparticles with high extents of atomic positional order are shown to exhibit large size-dependent variations in their local electronic environments. Solid-state Se-77 and Zn-67 NMR spectra reveal increasingly broad distributions of Se-77 and Zn-67 environments with decreasing nanoparticle sizes, in contrast with high degrees of atomic positional order established by transmission electron microscopy and x-ray diffraction. First-principles calculations of NMR parameters distinguish between atomic positional and electronic disorder that propagate from the nanoparticle surfaces and yield insights on the order and disorder present.