Basic guidelines of the first− principles calculations for suitable selection of electrochemical Li storage materials: A review
In this work, practical ways of using first-principles and machine learning calculations in
rechargeable Li batteries to understand the associated electrochemical Li storage reactions …
rechargeable Li batteries to understand the associated electrochemical Li storage reactions …
Kinetic Monte Carlo simulations applied to Li-ion and post Li-ion batteries: a key link in the multi-scale chain
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 …
batteries and has demonstrated to be a remarkable simulation tool to properly describe the …
Electrochemical–mechanical multi-scale model and validation with thickness change measurements in prismatic lithium-ion batteries
A multi-scale model able to evaluate volume changes from atomic level of active material up
to battery level of prismatic lithium iron phosphate–graphite batteries is presented in this …
to battery level of prismatic lithium iron phosphate–graphite batteries is presented in this …
High‐energy nickel‐cobalt‐aluminium oxide (NCA) cells on idle: anode‐versus cathode‐driven side reactions
We report on the first year of calendar ageing of commercial high‐energy 21700 lithium‐ion
cells, varying over eight state of charge (SoC) and three temperature values. Lithium‐nickel …
cells, varying over eight state of charge (SoC) and three temperature values. Lithium‐nickel …
Operando ultrasonic monitoring of lithium-ion battery temperature and behaviour at different cycling rates and under drive cycle conditions
RE Owen, JB Robinson, JS Weaving… - Journal of The …, 2022 - iopscience.iop.org
Effective diagnostic techniques for Li-ion batteries are vital to ensure that they operate in the
required voltage and temperature window to prevent premature degradation and failure …
required voltage and temperature window to prevent premature degradation and failure …
[HTML][HTML] Change in the half-cell open-circuit potential curves of silicon–graphite and nickel-rich lithium nickel manganese cobalt oxide during cycle aging
J Schmitt, M Schindler, A Jossen - Journal of Power Sources, 2021 - Elsevier
The relationship between the degree of lithiation and open-circuit potential (OCP) of the half-
cells of lithium-ion batteries is mostly regarded to be invariant during battery aging. In …
cells of lithium-ion batteries is mostly regarded to be invariant during battery aging. In …
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 …
battery technologies. Recent work suggests sodiation of hard carbon proceeds by insertion …
Experimental characterization of lithium-ion cell strain using laser sensors
The characterization of thickness change during operation of LFP/Graphite prismatic
batteries is presented in this work. In this regard, current rate dependence, hysteresis …
batteries is presented in this work. In this regard, current rate dependence, hysteresis …
Pushing the boundaries of lithium battery research with atomistic modelling on different scales
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 …
materials. Atomistic models are key to building truly physics-based models of batteries and …
Insights into Li+ storage mechanisms, kinetics, and reversibility of defect-engineered and functionalized multi-walled carbon nanotubes for enhanced energy storage
Lithium-ion batteries (LIBs) are approaching their theoretical energy density limits due to the
low capacity of electrode materials, and their charging rates are hindered by the intrinsically …
low capacity of electrode materials, and their charging rates are hindered by the intrinsically …