Atomistic Dynamics Investigation of the Thermomechanical Properties and Li Diffusion Kinetics in ψ-Graphene for LIB Anode Material.
Sign Up to like & getrecommendations! Published in 2018 at "ACS applied materials & interfaces"
DOI: 10.1021/acsami.8b11476
Abstract: A fundamental understanding of the thermomechanical properties of electrode materials and Li-ion diffusion kinetics is indispensable for designing high-performance Li-ion batteries (LIBs) with high structural stability and safety. Herein, we performed both molecular dynamics (MD)… read more here.
Keywords: properties diffusion; investigation thermomechanical; thermomechanical properties; dynamics investigation ... See more keywords
Atomistic dynamics of sulfur-deficient high-symmetry grain boundaries in molybdenum disulfide.
Sign Up to like & getrecommendations! Published in 2017 at "Nanoscale"
DOI: 10.1039/c7nr02941a
Abstract: As a common type of structural defect, grain boundaries (GBs) play an important role in tailoring the physical and chemical properties of bulk crystals and their two-dimensional (2D) counterparts such as graphene and molybdenum disulfide… read more here.
Keywords: atomistic dynamics; high symmetry; molybdenum disulfide; grain boundaries ... See more keywords