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2篇 您的检索式:作者名="Shuting Chi"
    题名 作者 年代 出处 被引量
1The Most Comprehensive Database of Ionic Transport Characteristics to Date显示文摘(a)The architecture of the ionic transport characteristics database;(b)the flow chart of the combination of geometric analysis and BVSE method;(c)the architecture of high-throughput screening platform for solid electrolytes.The blue bidirectional lines indicate dataflow Transport characteristics of ionic conductors play a key role in the performance of electrochemical devices[1-2].Any optimization of the performance of the ionic compounds is inseparable from the understanding of the basic transport characteristics.It has been previously established that ion transport properties are defined by framework transport channel geometry,e.g.bottleneck size,and resulting migration energy[3-4].HE Bing MI Penghui ZHANG Liwen CHI Shuting YE Anjiang SHI Siqi 2020材料导报2020,34,20:1
2Revisiting the ionic diffusion mechanism in Li_(3)PS_(4) via the joint usage of geometrical analysis and bond valence method显示文摘Inorganic solid electrolytes have obvious advantages on safety and electrochemical stability compared to organic liquid electrolytes,but the advance on high ionic conductivity of typical electrolytes is still undergoing.Although the first-principles calculation in the ion migration simulation is an important strategy to develop high-performance solid electrolyte,the process is very time-consuming.Here,we propose an effective method by combining the geometrical analysis and bond valance sum calculation to obtain an approximate minimum energy path preliminarily,in parallel to pave the way for the interoperability of low-precision and high-precision ion transport calculation.Taking a promising electrolyte Li_(3)PS_(4) as an example,we revisit its Li-ionic transport behavior.Our calculated Li-ion pathways and the activation energies(the corresponding values:1.09 eV vs.0.88 eV vs.0.86 eV)in γ-,β- and α-Li_(3)PS_(4) are consistent with the ones obtained from the first-principles calculations.The variations of the position of P-ions lead the rearrangement of the host PS_(4) tetrahedron,affecting the diffusion positions of Li-ions and further enabling high Li^(+) conductivity in β-Li_(3)PS_(4).Li Pan Liwen Zhang Anjiang Ye Shuting Chi Zheyi Zou Bing He Lanli Chen Qian Zhao Da Wang Siqi Shi 2019Journal of Materiomics2019,5,4:0
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