机译:An Ab-initio study of the Y decorated 2D holey graphyne for hydrogen storage application
Indian Inst Technol;
Bhabha Atom Res Ctr;
hydrogen storage; holey graphyne; Kubas interaction; density functional theory; nanomaterial; DENSITY-FUNCTIONAL THEORY; TOTAL-ENERGY CALCULATIONS; MOLECULAR-DYNAMICS; DOPED GRAPHENE; C-60 FULLERENE; 1ST PRINCIPLES; ADSORPTION; CAPACITY; LI; METALS;