Ab initio study of the binding of collagen amino acids to graphene and A-doped (A = H, Ca) graphene

Thin Solid Films

Volumn 518, Issue 23, 2010, Pages 6951-6961

  Cazorla, Claudio ^a  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

Author keywords

Amino acid; Density AR functional theory; Graphane; Graphene

Indexed keywords

AB INITIO MOLECULAR DYNAMICS SIMULATION; AB INITIO STUDY; ADSORPTION ENERGIES; CA-DOPED; CALCIUM ATOM; CARBON SURFACE; CARBON-BASED NANOSTRUCTURES; CARBOXYL GROUPS; COLLAGEN PROTEINS; ELECTRONIC BAND GAPS; ELECTRONIC CHARGES; ELECTRONIC DENSITY; FUNCTIONAL THEORY; GRAPHANE; GRAPHENES; NON-DOPED; ORDERS OF MAGNITUDE; QUANTUM INTERACTIONS; ROOM TEMPERATURE; THEORETICAL STUDY; THERMAL EXCITATION;

ADSORPTION; AMINO ACIDS; ARGON; BINDING ENERGY; CALCIUM; CHARGE TRANSFER; COLLAGEN; DOPING (ADDITIVES); GRAPHENE; ION EXCHANGE; MOLECULAR DYNAMICS; ORGANIC ACIDS; QUANTUM CHEMISTRY;

DENSITY FUNCTIONAL THEORY;

EID: 77956230209     PISSN: 00406090     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.tsf.2010.06.068     Document Type: Article

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