Strain induced lithium functionalized graphane as a high capacity hydrogen storage material - Hussain, Tanveer; De Sarkar, Abir; Ahuja, Rajeev (Applied physics letters, 2012)
Keywords: Adsorption energies; Cohesive energies; Density; Doping; Doping concentration; Electronic structure; First-principles density functional theory; Functionalized; Gravimetric density; High capacity; Hydrogen storage; Hydrogen storage capacities; Hydrogen storage materials; Lithium; Molecular dynamics; Molecular dynamics simulations; Stability; Strain; Strain effect