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Defective graphene as promising anode material for Na-ion battery and Ca-ion battery
Dibakar Datta, Junwen Li, Vivek B. Shenoy
We have investigated adsorption of Na and Ca on graphene with divacancy (DV) and Stone-Wales (SW) defect. Our results show that adsorption is not possible on pristine graphene. How…
Mechanical properties of hydrogen functionalized graphene allotropes
Yinfeng Li, Dibakar Datta, Zhonghua Li +1
Molecular dynamics (MD) simulations have been performed to investigate the mechanical properties of hydrogen functionalized graphene allotropes (GAs) for H-coverage spanning the en…
Stress Evolution in Composite Silicon Electrodes during Lithiation/Delithiation
Vijay A. Sethuraman, Annam Nguyen, Michael J. Chon +6
We report real-time average stress measurements on composite silicon electrodes made with two different binders [Carboxymethyl cellulose (CMC), and polyvinylidene fluoride (PVDF)]…
The Equilibrium Shape of Graphene Domains on Ni(111)
Meifang Li, J. B. Hannon, R. M. Tromp +4
We have determined the equilibrium shape of graphene domains grown on Ni(111) via carbon segregation at 925°C. In situ, spatially-resolved electron diffraction measurements were us…
Bonding Charge Density and Ultimate Strength of Monolayer Transition Metal Dichalcogenides
Junwen Li, Nikhil V. Medhekar, Vivek B. Shenoy
Two-dimensional (2D) semiconducting transition metal dichalcogenides (TMDs) can withstand a large deformation without fracture or inelastic relaxation, making them attractive for a…