537 citations · 849 across the 6 of their papers we have counts for
7 papers
A large scale multi-modal workflow for battery characterization: from concept to implementation
François Cadiou, Cinthya Herrera, Duncan Atkins +32
The development of material acceleration platforms in battery research requires integrating complementary techniques and correlating heterogeneous experimental datasets. Here, this…
Crossover Dynamics of Non-Fickian Ionic Diffusion in Solids
Gangbin Yan, Pierfrancesco Ombrini, Zhichu Tang +14
Ionic diffusion in solids is central to energy storage, electronics, and catalysis, yet its chemical origins are difficult to resolve because conventional diffusion models struggle…
The relationship between the redox activity and electrochemical stability of solid electrolytes for solid-state batteries
Tammo Schwietert, Violetta Arszelewska, Chuang Yu +11
All-solid-state Li-ion batteries promise safer electrochemical energy storage with larger volumetric and gravimetric energy densities. A major concern is the limited electrochemica…
Towards optimal performance and in-depth understanding of spinel LiTiO electrodes through phase field modeling
Alexandros Vasileiadis, Niek J. J. de Klerk, Raymond B. Smith +4
Computational modeling is vital for the fundamental understanding of processes in Li-ion batteries. However, capturing nanoscopic to mesoscopic phase thermodynamics and kinetics in…
Analysis of diffusion in solid state electrolytes through MD-simulations, improvement of the Li-ion conductivity in β-Li3PS4 as an example
Niek J. J. de Klerk, Eveline van der Maas, Marnix Wagemaker
Molecular dynamics simulations are a powerful tool to study diffusion processes in battery electrolyte and electrode materials. From a single molecular dynamics simulation many pro…
Explaining key properties of lithiation in TiO-anatase Li-ion battery electrodes using phase-field modelling
Niek J. J. de Klerk, Alexandros Vasileiadis, Raymond B. Smith +2
The improvement of Li-ion battery performance requires development of models that capture the essential physics and chemistry in Li-ion battery electrode materials. In this paper a…