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研究领域

近年来的研究工作主要集中在: ◆ 新颖的高性能的储氢材料的研发 采用NMR, Raman、FTIR,XRD,SEM,TG-MASS,GC,PCT等多种分析测试方法,对轻金属体系的储氢性能及反应机理进行系统的研究。分析球磨反应、组分变化、颗粒度、添加剂对反应产物的相组成、放氢性能及反应的可逆性的影响。通过以上方法,寻找和开发新颖的高性能储氢材料。 ◆ 基质隔离分子反应动力学研究 采用傅立叶变换红外光谱和同位素置换实验技术,结合量子化学理论计算研究新的活性物种,反应中间体和自由基的光谱、结构和成键特性,以及金属原子或金属氢化物与小分子反应机理和光化学反应动力学。在理论研究中采用分子动态学计算方法,模拟客体分子在低温基质的不同“笼结构”(cage structure)中出现的几率。 ◆ 分子的荧光光谱理论研究 运用量子化学ab initio HF和密度泛函理论B3LYP方法对有机配合物进行理论计算,在优化的几何构型基础上,用时间依赖密度泛函方法(TD-DFT)和单激发组态相互作用方法(CIS)计算它们的吸收光谱和发射光谱,在理论上深入探讨了电子跃迁与光谱性质之间的关系。探讨配合物荧光发射源的电子跃迁机理。据此机理来有效的调节配合物的发光波段。

近期论文

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Y.-L. Teng, T. Ichikawa, Hiroki Miyaoka,Y. Kojima, Improvement of hydrogen desorption kinetics in the LiH-NH3 system by addition of KH, Chemical Communications 2011, 47, 12227−12229. Y.-L. Teng, T. Ichikawa, Y. Kojima, Catalytic effect of Ti-Li-N compounds in the Li-N-H system on hydrogen desorption properties, Journal of Physical Chemistry C. 2011, 115, 589−593. Y.-L. Teng, Q. Xu, Reactions of Sc and Y metal atoms with acetylene: A matrix isolation infrared spectroscopic and theoretical study, Journal of Physical Chemistry A. 2010, 114, 9069−9073. Y.-L. Teng, Q. Xu, Reactions of group 14 metal atoms with acetylene: a matrix isolation infrared spectroscopic and theoretical study, Journal of Physical Chemistry A. 2009, 113, 12163−12170. Y.-L. Teng, Q. Xu, Infrared spectroscopic and theoretical studies on the formation of Au2NO- and AunNO (n = 2-5) in solid argon, Journal of Chemical Physics. 2009, 130, 134511(1-6). Y.-L. Teng, Q. Xu, Matrix isolation infrared spectroscopic and density functional theoretical studies on the reactions of lanthanum atoms with acetylene, Journal of Physical Chemistry A. 2008, 112, 10274−10279. Y.-L. Teng, Q. Xu, Matrix isolation infrared spectroscopic and density functional theory studies on the reactions of dysprosium hydride with carbon monoxide molecule, Bulletin of Chemical Society of Japan. 2008, 81, 1575−1579. Y.-L. Teng, Q. Xu, Matrix isolation infrared spectroscopic and density functional theory studies on the reactions of yttrium and lanthanum hydrides with dinitrogen, Journal of Physical Chemistry A. 2008, 112, 7594−7599. Y.-L. Teng, Q. Xu, Matrix isolation infrared spectroscopic studies and density functional theory calculations of the MNN, (MN)2 (M = Y and La), and Y3NN molecules, Journal of Physical Chemistry A. 2008, 112, 3607−3613. Y.-L. Teng, Q. Xu, Matrix isolation infrared spectroscopic and density functional theory studies on the reactions of yttrium and lanthanum hydrides with carbon monoxide, Journal of Physical Chemistry A. 2007, 111, 13380−13386. Y.-L. Teng, L. Jiang, S. Han, Q. Xu, Matrix-isolation infrared spectroscopic and density functional theory studies on reactions of laser-ablated lead and tin atoms with water molecules, Bulletin of Chemical Society of Japan. 2007, 80, 2149−2156. Y.-L. Teng, L. Jiang, S. Han, Q. Xu, Matrix-isolation infrared spectroscopic and theoretical studies on reactions of laser-ablated germanium atoms with water molecules, Journal of Physical Chemistry A. 2007, 111, 6225−6231. Y.-L. Teng, Y.-H. Kan, Z.-M. Su, Y. Liao, S.-Y. Yang, R.-S. Wang, Time-dependent density functional theory study on electronic and spectroscopic properties for Ph2Bq and its complexes, Theoretical Chemistry Accounts. 2007, 117, 1−5. Y.-L. Teng, Y.-H. Kan, Z.-M. Su, Y. Liao, L.-K. Yan, Y.-J. Yang, R.-S. Wang, Luminescent compounds diphenylboron analogs of Alq3 and its methyl substituents: A theoretical investigation of their electronic and spectroscopic properties, International Journal of Quantum Chemistry. 2005, 103, 775−780. Y.-L. Teng, Y.-H. Kan, Z.-M. Su, Y. Liao, L.-K. Yan, Y.-L. Zhu, Study on electronic spectra and second-order nonlinear optical property of substituted [60] fulleropyrrolo barbituric acid derivatives, Acta Chimica Sinica. 2004, 62, 573−577.

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