Graphene with line defect as a membrane for gas separation: Design via a first-principles modeling - Qin, Xian; Meng, Qingyuan; Feng, Yuanping; Gao, Yufei (Surface science, 2013)
Keywords: 1D line defect; All-hydrogen passivated pore; Barriers; Clean energy; Condensed matter: electronic structure, electrical, magnetic, and optical properties; Condensed matter: structure, mechanical and thermal properties; Cross-disciplinary physics: materials science; rheology; Diffusion barrier; Dislocations; Exact sciences and technology; First-principles calculations; Gas separation; Graphene; Mathematical models; Membranes; Physics; Porosity; Porous graphene; Diffusion barrier; First-principles calculations; Porous graphene; Gas separation; 1D line defect; All-hydrogen passivated pore; Diffusion barriers; Line defects; Hydrogen; Porous materials; Modelling