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Full-Text Articles in Engineering
Multi-Scale Simulation Revealing The Decomposition Mechanism Of Electrolyte On Lithium Metal Electrode, Yan-Yan Zhang, Yue Liu, Yi-Ming Lu, Pei-Ping Yu, Wen-Xuan Du, Bing-Yun Ma, Miao Xie, Hao Yang, Tao Cheng
Multi-Scale Simulation Revealing The Decomposition Mechanism Of Electrolyte On Lithium Metal Electrode, Yan-Yan Zhang, Yue Liu, Yi-Ming Lu, Pei-Ping Yu, Wen-Xuan Du, Bing-Yun Ma, Miao Xie, Hao Yang, Tao Cheng
Journal of Electrochemistry
Lithium metal is considered as an ideal anode material for next-generation high energy density batteries with its high specific capacity and low electrode potential. However, the high activity of lithium metal can lead to a series of safety issues. For example, lithium metal will continuously react chemically with the electrolyte, forming unstable the solid electrolyte (SEI) films. In addition, lithium dendrites can be formed during cycling, which can puncture the SEI film and cause short circuits in the battery. These drawbacks greatly hinder the commercial application of lithium metal. To solve the above problems, it is important to understand the …
Recent Advances In Electrochemical Kinetics Simulations And Their Applications In Pt-Based Fuel Cells, Ji-Li Li, Ye-Fei Li, Zhi-Pan Liu
Recent Advances In Electrochemical Kinetics Simulations And Their Applications In Pt-Based Fuel Cells, Ji-Li Li, Ye-Fei Li, Zhi-Pan Liu
Journal of Electrochemistry
Theoretical simulations of electrocatalysis are vital for understanding the mechanism of the electrochemical process at the atomic level. It can help to reveal the in-situ structures of electrode surfaces and establish the microscopic mechanism of electrocatalysis, thereby solving the problems such as electrode oxidation and corrosion. However, there are still many problems in the theoretical electrochemical simulations, including the solvation effects, the electric double layer, and the structural transformation of electrodes. Here we review recent advances of theoretical methods in electrochemical modeling, in particular, the double reference approach, the periodic continuum solvation model based on the modified Poisson-Boltzmann …