Applying Classical, Ab Initio, and Machine-Learning Molecular Dynamics Simulations to the Liquid Electrolyte for Rechargeable Batteries

N Yao, X Chen, ZH Fu, Q Zhang - Chemical Reviews, 2022 - ACS Publications
Rechargeable batteries have become indispensable implements in our daily life and are
considered a promising technology to construct sustainable energy systems in the future …

Confronting the challenges in lithium anodes for lithium metal batteries

Q Wang, B Liu, Y Shen, J Wu, Z Zhao… - Advanced …, 2021 - Wiley Online Library
With the low redox potential of− 3.04 V (vs SHE) and ultrahigh theoretical capacity of 3862
mAh g− 1, lithium metal has been considered as promising anode material. However, lithium …

Emerging era of electrolyte solvation structure and interfacial model in batteries

H Cheng, Q Sun, L Li, Y Zou, Y Wang, T Cai… - ACS Energy …, 2022 - ACS Publications
Over the past two decades, the solid–electrolyte interphase (SEI) layer that forms on an
electrode's surface has been believed to be pivotal for stabilizing the electrode's …

Anticatalytic strategies to suppress water electrolysis in aqueous batteries

Y Sui, X Ji - Chemical Reviews, 2021 - ACS Publications
Aqueous electrolytes are the leading candidate to meet the surging demand for safe and low-
cost storage batteries. Aqueous electrolytes facilitate more sustainable battery technologies …

[HTML][HTML] Classical and reactive molecular dynamics: Principles and applications in combustion and energy systems

Q Mao, M Feng, XZ Jiang, Y Ren, KH Luo… - Progress in Energy and …, 2023 - Elsevier
Molecular dynamics (MD) has evolved into a ubiquitous, versatile and powerful
computational method for fundamental research in science branches such as biology …

Polymeric Single‐Ion Conductors with Enhanced Side‐Chain Motion for High‐Performance Solid Zinc‐Ion Batteries

Z Chen, T Wang, Y Hou, Y Wang, Z Huang… - Advanced …, 2022 - Wiley Online Library
Zn‐based solid polymer electrolytes (SPEs) have enormous potential in realizing high‐
performance zinc‐ion batteries. Polymeric single‐ion conductor (PSIC)‐based SPEs can …

Developing Single‐Ion Conductive Polymer Electrolytes for High‐Energy‐Density Solid State Batteries

N Meng, Y Ye, Z Yang, H Li… - Advanced Functional …, 2023 - Wiley Online Library
Single‐ion conductive polymer electrolytes (SICPEs) with a cationic transference number
(tLi+) close to unity exhibit specific advantages in solid‐state batteries (SSBs), including …

The anionic chemistry in regulating the reductive stability of electrolytes for lithium metal batteries

N Yao, SY Sun, X Chen, XQ Zhang, X Shen… - Angewandte …, 2022 - Wiley Online Library
Advanced electrolyte design is essential for building high‐energy‐density lithium (Li)
batteries, and introducing anions into the Li+ solvation sheaths has been widely …

Covalent organic frameworks and their derivatives for better metal anodes in rechargeable batteries

C Wei, L Tan, Y Zhang, K Zhang, B Xi, S Xiong… - ACS …, 2021 - ACS Publications
Metal anodes based on a plating/stripping electrochemistry such as metallic Li, Na, K, Zn,
Ca, Mg, Fe, and Al are recognized as promising anode materials for constructing next …

Machine learning for battery research

Z Wei, Q He, Y Zhao - Journal of Power Sources, 2022 - Elsevier
Batteries are vital energy storage carriers in industry and in our daily life. There is continued
interest in the developments of batteries with excellent service performance and safety …