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Yanwei Li,Jinhuan Yao,Shengkui Zhong,Zhengguang Zou 한국물리학회 2011 Current Applied Physics Vol.11 No.6
The effect of molecular orientation on the electron transport behavior of single porphyrin sandwiched between two gold (111) electrodes is investigated by density functional theory calculations combined with non-equilibrium Green’s function method. The results show that the porphyrin with parallel connection to gold (111) electrodes is more conductive than the porphyrin with diagonal connection to gold (111) electrodes. The mechanism of the difference of electron transport for these two molecular junctions is analyzed from the transmission spectra and the molecular projected self-consistent Hamiltonian states. It is found that the intrinsic nature of the molecule, such as the π-conjugated framework and the strength of molecule―electrode coupling, are the essential reason for generating this difference of electron transport for the two molecular systems.
You Li,Mulan Tang,Shuxin Xu,Shuchao Zhang,Yuxin Zhai,Jiarong Yin,Zhengguang Zou 한국공업화학회 2022 Journal of Industrial and Engineering Chemistry Vol.114 No.-
The NASICON-type solid electrolyte structure of Li1.3Al0.3Ti1.7(PO4)3 (LATP) exhibits good electrochemicalperformance and thermal stability, and has been promising as a solid electrolyte. Here, a stable goodstabilityLATP precursor spinning solution was prepared using the sol–gel method for the first time. A linearLATP solid electrolyte with an oriented ordered structure was obtained using improved electrostaticspinning equipment. The sintering process regime of the LATP-ordered construction was determined. Theionic conductivity of the prepared LATP-PEO/LiClO4-PEG composite solid-state electrolyte with anordered structure was as high as 2.05 10-4 Scm1 at room temperature (25 C), one order of magnitudehigher than the ionic conductivity of the LATP composite solid-state electrolyte reported so far. Organicsolid-state electrolytes to protect LATP-ordered structured solid-state electrolytes yield excellent electrochemicalstability in lithium-metal batteries.