Rechargeable alkali-ion battery materials: theory and computation

A Van der Ven, Z Deng, S Banerjee, SP Ong - Chemical reviews, 2020 - ACS Publications
Since its development in the 1970s, the rechargeable alkali-ion battery has proven to be a
truly transformative technology, providing portable energy storage for devices ranging from …

Ultimate limits to intercalation reactions for lithium batteries

MS Whittingham - Chemical reviews, 2014 - ACS Publications
There is a growing demand for energy storage, for intermittent renewable energy such as
solar and wind power, for transportation, and for the myriad portable electronic devices. By …

CHGNet as a pretrained universal neural network potential for charge-informed atomistic modelling

B Deng, P Zhong, KJ Jun, J Riebesell, K Han… - Nature Machine …, 2023 - nature.com
Large-scale simulations with complex electron interactions remain one of the greatest
challenges for atomistic modelling. Although classical force fields often fail to describe the …

Defect‐Concentration‐Mediated T‐Nb2O5 Anodes for Durable and Fast‐Charging Li‐Ion Batteries

Y Zheng, Z Yao, Z Shadike, M Lei… - Advanced Functional …, 2022 - Wiley Online Library
Metastable orthorhombic niobium pentoxide (T‐Nb2O5) is a promising anode to fulfill the
requirements for high‐rate Li‐ion batteries (LIBs). Stoichiometric T‐Nb2O5 is plagued by low …

Materials' methods: NMR in battery research

O Pecher, J Carretero-González, KJ Griffith… - Chemistry of …, 2017 - ACS Publications
Improving electrochemical energy storage is one of the major issues of our time. The search
for new battery materials together with the drive to improve performance and lower cost of …

Electrode materials for rechargeable sodium‐ion batteries: potential alternatives to current lithium‐ion batteries

SW Kim, DH Seo, X Ma, G Ceder… - Advanced Energy …, 2012 - Wiley Online Library
Abstract Lithium (Li)‐ion batteries (LIB) have governed the current worldwide rechargeable
battery market due to their outstanding energy and power capability. In particular, the LIB's …

Polyanionic (phosphates, silicates, sulfates) frameworks as electrode materials for rechargeable Li (or Na) batteries

C Masquelier, L Croguennec - Chemical Reviews, 2013 - ACS Publications
For more than 20 years, most of the technological achievements for the realization of
positive electrodes for practical rechargeable Li battery systems have been devoted to …

Challenges in the development of advanced Li-ion batteries: a review

V Etacheri, R Marom, R Elazari, G Salitra… - Energy & …, 2011 - pubs.rsc.org
Li-ion battery technology has become very important in recent years as these batteries show
great promise as power sources that can lead us to the electric vehicle (EV) revolution. The …

Computational thermodynamics and its applications

ZK Liu - Acta Materialia, 2020 - Elsevier
Thermodynamics is a science concerning the state of a system, whether it is stable,
metastable or unstable, when interacting with the surroundings. In this overview …

Recent achievements on inorganic electrode materials for lithium-ion batteries

L Croguennec, MR Palacin - Journal of the American Chemical …, 2015 - ACS Publications
The lithium-ion battery technology is rooted in the studies of intercalation of guest ions into
inorganic host materials developed ca. 40 years ago. It further turned into a commercial …