Yue Liu

发表

Molecular understanding of interphase formation via operando polymerization on lithium metal anode

Xiaodi Ren, R. Cao, W. Goddard, 2022, Cell Reports Physical Science.

Machine Learning Predicts the X-ray Photoelectron Spectroscopy of the Solid Electrolyte Interface of Lithium Metal Battery.

W. Goddard, Yifan Ye, A. Fortunelli, 2022, The journal of physical chemistry letters.

The DFT-ReaxFF Hybrid Reactive Dynamics Method with Application to the Reductive Decomposition Reaction of the TFSI and DOL Electrolyte at a Lithium-Metal Anode Surface.

W. Goddard, Yuehua Wu, Peiping Yu, 2021, The journal of physical chemistry letters.

Pathway of in situ Polymerization of 1,3-dioxolane in LiPF6 Electrolyte on Li Metal Anode

W. Goddard, Peiping Yu, Miao Xie, 2021 .

Multiscale Simulation of Solid Electrolyte Interface Formation in Fluorinated Diluted Electrolytes with Lithium Anodes.

Peiping Yu, Tao Cheng, Hao Yang, 2022, ACS applied materials & interfaces.

Predicted Operando Polymerization at Lithium Anode via Boron Insertion

W. Goddard, Peiping Yu, Tao Cheng, 2021, ACS Energy Letters.

Effects of High and Low Salt Concentrations in Electrolytes at Lithium-Metal Anode Surfaces Using DFT-ReaxFF Hybrid Molecular Dynamics Method.

W. Goddard, Peiping Yu, Miao Xie, 2021, The journal of physical chemistry letters.

Formation of Linear Oligomers in Solid Electrolyte Interphase via Two‐Electron Reduction of Ethylene Carbonate

Peiping Yu, Tao Cheng, Hao Yang, 2022, Advanced Theory and Simulations.

Elucidating solid electrolyte interphase formation in sodium-based batteries: key reductive reactions and inorganic composition

Tao Cheng, Yue Liu, Qintao Sun, 2023, Journal of Materials Chemistry A.

Origin of dendrite-free lithium deposition in concentrated electrolytes

Xiaodi Ren, R. Cao, Shuhong Jiao, 2023, Nature communications.

Insights into generation mechanisms of halogen radicals from excited triplet state of dissolved organic matter.

Hao Yang, J. Qu, Fangyuan Cheng, 2022, The Science of the total environment.

In Situ Formation of Circular and Branched Oligomers in Localized High Concentration Electrolyte at Lithium−metal Solid Electrolyte Interphase: A Hybrid ab initio and Reactive Molecular Dynamics

Peiping Yu, Miao Xie, Tao Cheng, 2021, Journal of Materials Chemistry A.

Temperature-dependent interphase formation and Li+ transport in lithium metal batteries

Xiulin Fan, Liquan Chen, Huixin Chen, 2023, Nature communications.

Fine-tuned molecular design toward a stable solid electrolyte interphase on a lithium metal anode from in silico simulation

Peiping Yu, Liang Xu, Miao Xie, 2023, Materials Today Chemistry.

Artificial intelligence for the understanding of electrolyte chemistry and electrode interface in lithium battery

Peiping Yu, Shuhong Jiao, Yulin Jie, 2023, National Science Open.