Development and Validation of a ReaxFF Reactive Force Field for Modeling Silicon–Carbon Composite Anode Materials in Lithium-Ion Batteries
Olou’ou Guifo, Stéphane B., Mueller, Jonathan E., van Duin, Diana, Talkhoncheh, Mahdi K., van Duin, Adri C. T., Henriques, David, Markus, Torsten
Published in Journal of physical chemistry. C (16.02.2023)
Published in Journal of physical chemistry. C (16.02.2023)
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