Data-driven health estimation and lifetime prediction of lithium-ion batteries: A review

Y Li, K Liu, AM Foley, A Zülke, M Berecibar… - … and sustainable energy …, 2019 - Elsevier
Accurate health estimation and lifetime prediction of lithium-ion batteries are crucial for
durable electric vehicles. Early detection of inadequate performance facilitates timely …

Kinetic Monte Carlo simulations applied to Li-ion and post Li-ion batteries: a key link in the multi-scale chain

EM Gavilán-Arriazu, MP Mercer, DE Barraco… - Progress in …, 2021 - iopscience.iop.org
Abstract Since 1994, Kinetic Monte Carlo (kMC) has been applied to the study of Li-ion
batteries and has demonstrated to be a remarkable simulation tool to properly describe the …

Voltage hysteresis during lithiation/delithiation of graphite associated with meta-stable carbon stackings

MP Mercer, C Peng, C Soares, HE Hoster… - Journal of Materials …, 2021 - pubs.rsc.org
Cell voltage is a fundamental quantity used to monitor and control Li-ion batteries. The open
circuit voltage (OCV) is of particular interest as it is believed to be a thermodynamic quantity …

Sodiation energetics in pore size controlled hard carbons determined via entropy profiling

MP Mercer, M Nagarathinam… - Journal of Materials …, 2023 - pubs.rsc.org
Hard carbons show considerable potential as anode materials in emerging sodium-ion
battery technologies. Recent work suggests sodiation of hard carbon proceeds by insertion …

Pushing the boundaries of lithium battery research with atomistic modelling on different scales

LM Morgan, MP Mercer, A Bhandari, C Peng… - Progress in …, 2021 - iopscience.iop.org
Computational modelling is a vital tool in the research of batteries and their component
materials. Atomistic models are key to building truly physics-based models of batteries and …

High-Rate Lithium Cycling and Structure Evolution in Mo4O11

RC Vincent, Y Luo, JL Andrews, A Zohar… - Chemistry of …, 2022 - ACS Publications
Shear-phase early transition metal oxides, mostly of Nb, and comprising edge-and corner-
shared metal–oxygen octahedra have seen a resurgence in recent years as fast-charging …

Operando calorimetry informs the origin of rapid rate performance in microwave-prepared TiNb2O7 electrodes

SW Baek, KE Wyckoff, DM Butts, J Bienz… - Journal of Power …, 2021 - Elsevier
The shear-phase compound TiNb 2 O 7 has recently emerged as a safe and high-volumetric
density replacement for graphite anodes in lithium ion batteries. An appealing feature of …

Discharging of Ramsdellite MnO2 Cathode in a Lithium-Ion Battery

W Jee, AA Sokol, C Xu, B Camino, X Zhang… - Chemistry of …, 2024 - ACS Publications
We report an application of our unbiased Monte Carlo approach to investigate
thermodynamic and electrochemical properties of lithiated manganese oxide in the …

Entropy measurement of a large format lithium ion battery and its application to calculate heat generation

CH Doh, YC Ha, S Eom - Electrochimica Acta, 2019 - Elsevier
As large format lithium ion batteries are used in EV and ESS applications, the temperature
control of a battery is important to achieve a safe and long cycle life operation. To control the …

Metal–Metal Bonding as an Electrode Design Principle in the Low-Strain Cluster Compound LiScMo3O8

KE Wyckoff, JL Kaufman, SW Baek… - Journal of the …, 2022 - ACS Publications
Electrode materials for Li+-ion batteries require optimization along several disparate axes
related to cost, performance, and sustainability. One of the important performance axes is …