Assessing cathode–electrolyte interphases in batteries

J Xiao, N Adelstein, Y Bi, W Bian, J Cabana, CL Cobb… - Nature Energy, 2024 - nature.com
The cathode–electrolyte interphase plays a pivotal role in determining the usable capacity
and cycling stability of electrochemical cells, yet it is overshadowed by its counterpart, the …

Conjugated microporous polymers as promising alternatives to traditional electrodes in alkali metal ion batteries

J Aslam, MA Waseem, W Sun, Y Wang - Chemical Engineering Journal, 2024 - Elsevier
Finding sustainable energy sources is crucial owing to the current energy constraints and
the pressing issue of climate change. Conjugated microporous polymers (CMPs), which …

Mechanistic Insights and Technical Challenges in Sulfur-Based Batteries: A Comprehensive In Situ/Operando Monitoring Toolbox

J Yu, I Pinto-Huguet, CY Zhang, Y Zhou, Y Xu… - ACS Energy …, 2024 - ACS Publications
Batteries based on sulfur cathodes offer a promising energy storage solution due to their
potential for high performance, cost-effectiveness, and sustainability. However, commercial …

Opportunities and Challenges in Transformer Neural Networks for Battery State Estimation: Charge, Health, Lifetime, and Safety

J Zhao, X Han, Y Wu, Z Wang, AF Burke - Journal of Energy Chemistry, 2024 - Elsevier
Battery technology plays a crucial role across various sectors, powering devices from
smartphones to electric vehicles and supporting grid-scale energy storage. To ensure their …

Improving Molecular‐Dynamics Simulations for Solid–Liquid Interfaces with Machine‐Learning Interatomic Potentials

P Hou, Y Tian, X Meng - Chemistry–A European Journal, 2024 - Wiley Online Library
Emerging developments in artificial intelligence have opened infinite possibilities for
material simulation. Depending on the powerful fitting of machine learning algorithms to first …

Low temperature electrochemical properties and energy storage mechanisms of gently modified porous carbon fabric-based flexible supercapacitors

M Xiang, J Liao, N Wang, L Sun, L He, X Xie… - Chemical Engineering …, 2024 - Elsevier
The development of a low-temperature-resistant flexible energy storage device represents a
significant challenge that requires urgent attention. In this study, the electrochemical …

Carbon‐Based 3D Architectures as Anodes for Lithium‐Ion Battery Systems

J Aslam, M Ahsan Waseem, Y Zhang… - ChemPlusChem, 2024 - Wiley Online Library
Graphite, with its exceptional cyclic performance, continues to dominate as the preferred
anode material for lithium‐ion batteries. However as high‐energy application gains …

Interfacial Zn ion capture and desolvation engineering for high-performance Zn metal anode

J Chen, T Kang, F Zhang, X Chen, X Wang, Y Ma… - FlatChem, 2024 - Elsevier
The uneven surface of planar zinc (Zn) metal anodes fundamentally reduces the
electrochemical reversibility of aqueous Zn metal batteries due to dendritic growth. Herein …

Modeling solvation dynamics of transition metal redox ion through on-the-fly multi-objective Bayesian-optimized force field

Y Chen, Q Huang, TH Liu, R Yang… - The Journal of Chemical …, 2024 - pubs.aip.org
Modeling solvation dynamics and properties is crucial for developing electrolytes for
electrochemical energy storage and conversion devices. This work reports an on-the-fly …

Metal-organic frameworks as cathode electrocatalysts for Li-O2 batteries: A computational study of NiBTC and CuBTC by molecular dynamic simulation

A Sadeghi, A Ghaffarinejad, MM Alemnezhad - Chemical Physics Letters, 2025 - Elsevier
This study investigates metal–organic frameworks (MOFs) as cathode electrocatalysts for
lithium-oxygen batteries, comparing NiBTC and CuBTC. Using molecular dynamics …