6 papers
Upscaling from ab initio atomistic simulations to electrode scale: The case of manganese hexacyanoferrate, a cathode material for Na-ion batteries
Yuan-Chi Yang, Eric Woillez, Quentin Jacquet +1
We present a generalizable scale-bridging computational framework that enables predictive modeling of insertion-type electrode materials from atomistic to device scales. Applied to…
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…
Dead, Slow and Overworked Graphite: Operando X-ray Microdiffraction Mapping of Aged Electrodes
Gozde Oney, Federico Monaco, Saptarshee Mitra +10
Aging limits lithium-ion battery lifetime and must be understood to improve durability and performance, requiring a detailed understanding of how aging alters the availability of c…
4D operando X-ray nano-holo-tomography reveals multiscale chemomechanics in Silicon-Graphite anode
Victor Vanpeene, Olga Stamati, Francois Cadiou +3
Linking electrode microstructure to electrochemical performance is essential for optimizing Li-ion batteries. However, this requires mechanistic 4D observations at ultimate spatio-…
Temperature dependent Resonant X-ray Inelastic Scattering at Ni L3-edge for NaNiO2 and LiNiO2
Quentin Jacquet, Kurt Kummer, Marie Guignard +4
LiNiO2 is a promising cathode material for Li-ion battery but its atomic and electronic structure is under debate. Indeed, two sets of Ni-O distances are identified from local stru…
Operando imaging of crystal structure and orientation in all components of all-solid-state-batteries
Quentin Jacquet, Jacopo Cele, Lara Casiez +6
A comprehensive understanding of interactions between cathode, electrolyte, anode, and packaging during battery operation is crucial for advancing performances but remains overlook…