Structural and electronic properties of H-passivated graphene

Applied Surface Science

Volumn 256, Issue 19, 2010, Pages 5783-5788

  AlZahrani, A Z ^a   Srivastava, G P ^b  

^a KING ABDULAZIZ UNIVERSITY   (Saudi Arabia)

^b UNIVERSITY OF EXETER   (United Kingdom)

Author keywords

Density functional theory; Graphane; Graphene; Hydrogen passivation; Local density approximation; Pseudopotential method

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ENERGY GAP; GRAPHENE; PASSIVATION;

EQUILIBRIUM GEOMETRIES; GRAPHANE; HYDROGEN PASSIVATION; PARTIAL CHARGES; PSEUDOPOTENTIAL METHOD; STRUCTURAL AND ELECTRONIC PROPERTIES; TOTAL ENERGY CALCULATION; UNOCCUPIED STATE;

LOCAL DENSITY APPROXIMATION;

EID: 77953134679     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2010.03.088     Document Type: Article

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