Improved description of soft layered materials with van der Waals density functional theory

Journal of Physics Condensed Matter

Volumn 24, Issue 42, 2012, Pages

  Graziano, Gabriella ^a,b   Klimeš, Jií ^a   Fernandez Alonso, Felix ^a,b   Michaelides, Angelos ^a  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

^b RUTHERFORD APPLETON LABORATORY   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVE AREA; COMPUTATIONAL PHYSICS; DENSITY FUNCTIONALS; ENERGETIC PROPERTIES; FUNCTIONALS; HEXAGONAL BORON NITRIDE; LAYERED MATERIAL; PHYSICAL NATURE; TWO LAYERED MATERIALS; VAN DER WAALS;

COMPUTATIONAL CHEMISTRY; GRAPHITE; OPTIMIZATION; VAN DER WAALS FORCES;

DENSITY FUNCTIONAL THEORY;

BORON DERIVATIVE; BORON NITRIDE; GRAPHITE;

ABSORPTION; ARTICLE; CHEMICAL PHENOMENA; CHEMISTRY; COMPUTER SIMULATION; QUANTUM THEORY; THERMODYNAMICS;

ABSORPTION; BORON COMPOUNDS; COMPUTER SIMULATION; GRAPHITE; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; QUANTUM THEORY; THERMODYNAMICS;

EID: 84867273168     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/24/42/424216     Document Type: Article

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