采用沉淀法制备了氧含量不同的VO2-x纳米粉.对样品进行了差式扫描量热(DSC)、X-射线衍射(XRD)和透射电子显微镜(TEM)的测试,并结合第一性原理的计算结果,具体分析了氧含量对氧化钒纳米粉的晶格特性和结构相变造成的影响:缺氧样品中形成钒填隙,富氧样品中形成氧填隙,两种缺陷分别造成晶胞体积的膨胀;缺陷带来的各向异性造成晶粒形状的改变;同时,不同缺陷态造成的能带中电子状态的改变也可能成为影?煅趸暗慕峁瓜啾涮匦缘闹匾蛩刂?

VO_2-x nanopowders were successfully synthesized with different oxygen content. The effects of oxygen content on the crystal lattice and phase transition properties were obtained form the experiment. Our result shows that vanadium interstitials are formed in oxygen-deficient samples, while oxygen interstitials are formed in the samples with excess oxygen. Both factors result in the expansion of the volume in the crystal unit cell. And the defects induce anisotropy in the lattice, which is observed in the deformation of the crystal grains with different oxygen content. The redistribution of electronic strucure in the energy band may be one of the factors that result in the changes of phase transition properties in VO_2-x.