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非水溶胶-凝胶法合成的新型含氧锰矿VO1.52(OH)0.77纳米棒的表征与性能

Characterization and Properties of Novel Oxygen Contained Hollandite VO1.52(OH)0.77 Nanorods Synthesized by Nonaqueous Sol-Gel Route
课程网址: http://videolectures.net/slonano07_djerdj_cpn/  
主讲教师: Igor Djerdj
开课单位: 约瑟夫·斯特凡学院
开课时间: 2008-01-18
课程语种: 英语
中文简介:
利用基于苄醇途径的非水溶胶凝胶途径,以纳米棒的形式合成了新的化合物VO1.52(OH)0.77。已经使用互补中子和同步加速器粉末X射线衍射以及不同的电子显微镜技术(包括SEM,(HR)TEM,EDX,SAED,EELS)进行了全面的结构研究,以确定材料的形态,结晶度和钒的氧化态。数据表明,该结构可以描述为在c轴的2×2通道中仅包含氧的氢氧铁石类型,氢附着在一个八面体配位氧上,从而形成OH-基团。纳米棒是单晶的,长至500 nm,直径为105 nm,其生长方向沿轴。 OK边缘的形状和L3 / L2白线比证实了钒的氧化态在3和4之间,这也从电荷中性分析得出3.81。取决于温度的直流电导率测量结果证明了Arrhenius行为和半导体基态,带隙为0.64 eV(冷却模式)。从头算密度函数计算得出,包括旋涡势(LSDA U)在内的局部自旋密度近似值可以预测到0.64 eV的直接带隙以及O 2p和V 3d轨道之间的高度杂交。磁化率的温度依赖性在150 K以上时遵循居里·韦斯定律。所提取的每钒有效磁矩为1.95 B,与3和4种氧化态的混合物一致,主要份额为4。
课程简介: Using the nonaqueous sol-gel route based on benzyl alcohol pathway, a new compound VO1.52(OH)0.77 in the form of nanorods has been synthesized. Comprehensive structural investigations have been carried out using complementary neutron and synchrotron powder X-ray diffraction as well as different electron microscopy techniques: SEM, (HR)TEM, EDX, SAED, EELS for determination of material's morphology, crystallinity and oxidation state of vanadium. The data show that the structure can be described as hollandite-type containing only oxygen in the 2×2 channels along the c-axis, with hydrogen attached to the one octahedral-coordinating oxygen, forming thus OH− group. The nanorods are single-crystalline, up to 500 nm long and 105 nm in diameter with the growth direction along the axis. The shape of OK edge and L3/L2 white-line ratio confirmed that the vanadium oxidation state is between 3+ and 4+ which is also deduced from the charge neutrality analysis being +3.81. Temperature dependent DC conductivity measurement evidenced Arrhenius behavior and semiconducting ground state with a band gap of 0.64 eV (cooling mode). Ab initio density-functional calculations with local spin density approximation including orbital potential (LSDA+U) predicts a direct band gap of 0.64 eV and a high degree of hybridization between O 2p and V 3d orbitals. The temperature dependence of magnetic susceptibility follows the Curie-Weiss law above 150 K. The extracted effective magnetic moment per vanadium of 1.95 B is consistent with the mixture of 3+ and 4+ oxidation states with predominant fraction of 4+.
关 键 词: 非水溶胶凝胶途径; 苄醇; 半导体基态
课程来源: 视频讲座网
最后编审: 2019-09-25:yuh
阅读次数: 86