Band gaps and photocurrent responses of two novel alkaline earth metal(II) complexes based on 4,5-di(4'-carboxylphenyl)benzene
Band gaps and photocurrent responses of two novel alkaline earth metal(II) complexes based on 4,5-di(4'-carboxylphenyl)benzene
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两种基于 4,5-二(4-羧基苯基)苯的新型碱土金属 (II) 配合物的带隙和光电流响应
DOI：
10.1016/j.jssc.2016.10.007
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发表时间：
2017-01-01
影响因子：
3.3
通讯作者：
Lin, Jian Hua
中科院分区：
文献类型：
--
作者：
Meng, Jiang Ping;Yan, Zhi Shuo;Lin, Jian Hua
以刚性二羧酸盐配体4，5-二(4‘-羧基苯基)苯(H_2L)为原料，用溶剂热法合成了SRL(DMF)(H_2O)(CH_3CN)(DMF=N，N’-二甲基甲酰胺)(1)和Bal(H_2O)(2)(2)，并用单晶X-射线衍射仪对其结构进行了表征。络合物1和2显示二维(2D)层结构。这两种配合物表现出不同的电化学和光电化学性能。研究了它们的热稳定性、循环伏安、紫外-可见吸收光谱、漫反射光谱和光致发光性质。用CASTEP程序计算了两种配合物的能带结构、总态密度(TDOS)和偏态密度(PDOS)。Mott-Schottky图表明，配合物1和2都是p型半导体，这与它们的能带结构计算是一致的。
By using a rigid dicarboxylate ligand, 4,5-di(4'-carboxylphenyl)benzene (H2L), two complexes formulated as SrL(DMF)(H2O)(CH3CN) (DMF=N,N'-dimethylformamide) (1) and BaL(H2O)(2) (2) were solvothermally synthesized and structurally characterized by single-crystal X-ray diffraction. Complexes 1 and 2 display two-dimensional (2D) layer structures. The two complexes exhibit different electrochemical and photoelectrochemical properties. Their thermal stabilities, cyclic voltammograms, UV-vis absorption and diffuse reflectance spectra and photoluminescence properties have been investigated. The band structures, the total density of states (TDOS) and partial density of states (PDOS) of the two complexes were calculated by CASTEP program. Complex 2 exhibits much higher photocurrent density than complex 1. The Mott-Schottky plots reveal that complexes 1 and 2 both are p-type semiconductors, which are in agreement with their band structure calculations.