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Effect of Graphene/TiO2 (001) Interface on Threshold Voltage and Nonlinearity
Yuehua Dai,Shanshan Gong,Zhisheng Zhong,Fengyu Gao,Feifei Wang,Cheng Ding,Jin Yang,Fei Yang 성균관대학교(자연과학캠퍼스) 성균나노과학기술원 2018 NANO Vol.13 No.6
In this work, the threshold voltage (Vth) and nonlinearity (NL) of Graphene (Gra)/TiO2/Gra heterojunction were studied. First, the density functional tight binding (DFTB+) and much more dynamics were used to investigate the IV curves and the resistive switching properties of TiO2 slab and Gra/TiO2/Gra heterojunction. The NL of Gra/TiO2/Gra heterojunction is stronger than that of the TiO2 slab. The Vth of the resistive transition of the heterojunction is larger than that of the TiO2 slab. The tunneling probabilities and the Mulliken atomic population at the Gra/TiO2 interface under different electric fields were calculated by the Cambridge sequential total energy package (CASTEP). Results showed that both the parameters evidently increased under a certain numerical electric field. Finally, the movement of atom in the electric field and the change in the chemical bond were simulated by DFTB+ module. The effect of the Gra/TiO2 interface on Vth and NL was further illustrated. Postponed Vth and improved NL were found at the heterojunction relative to the TiO2 slab due to the presence of the interface barrier. This work provides guidance and reference for design and optimization of TiO2-based selectors.
Yanli Liang,Ming Zhao,Jianli Wang,Mengmeng Sun,Shanshan Li,Yufen Huang,Lin Zhong,Maochu Gong,Yaoqiang Chen 한국공업화학회 2017 Journal of Industrial and Engineering Chemistry Vol.54 No.-
A series of the modified Pt/SiO2–Al2O3 diesel oxidation catalysts with different WO3 loading were prepared through co-impregnation method. With an optimum additive loading of 2 wt% WO3, the catalyst significantly improved the performance and its stability. Compared to the free-tungsten sample, the catalyst increased the maximum conversion of NO by 5–10% and decreased the reaction temperature for 30% NO conversion by 7–28 C. It was found that there exist the electron and structure interaction between platinum and tungsten species. The interactions can generate and maintain more Pt sites in metallic state for the catalytic oxidation with enhanced activity and stability.