机译:有效石墨烯的高效储氢及其机械稳定性:组合密度函数理论与分子动力学模拟研究
Delft Univ Technol Dept Mat Sci & Engn Fac Mech Maritime & Mat Engn Mekelweg 2 NL-2628 CD Delft Netherlands|Indonesian Inst Sci LIPI Res Ctr Chem Kawasan Puspiptek Serpong Tangerang 15314 Selatan Indonesia;
UCLouvain Inst Condensed Matter & Nanosci IMCN Chemin Toiles 8 Bte L7-03-01 B-1348 Louvain La Neuve Belgium;
Delft Univ Technol Maritime & Transport Technol Fac Mech Maritime & Mat Engn Mekelweg 2 NL-2628 CD Delft Netherlands;
Delft Univ Technol Maritime & Transport Technol Fac Mech Maritime & Mat Engn Mekelweg 2 NL-2628 CD Delft Netherlands;
Delft Univ Technol Engn Thermodynam Proc & Energy Dept Fac Mech Maritime & Mat Engn Leeghwaterstr 39 NL-2628CB Delft Netherlands;
Delft Univ Technol Dept Mat Sci & Engn Fac Mech Maritime & Mat Engn Mekelweg 2 NL-2628 CD Delft Netherlands;
Hydrogenated defective graphene; Exothermic H-2 desorption; Density functional theory; Molecular dynamics simulations; Activation barrier; Tensile strength;