Communication: Water on hexagonal boron nitride from diffusion Monte Carlo

Journal of Chemical Physics

Volumn 142, Issue 18, 2015, Pages

  Al Hamdani, Yasmine S ^a,b   Ma, Ming ^a,b   Alfè, Dario ^a,b   Von Lilienfeld, O Anatole ^c,d   Michaelides, Angelos ^a,b  

^a LONDON CENTRE FOR NANOTECHNOLOGY   (United Kingdom)

^b UNIVERSITY COLLEGE LONDON   (United Kingdom)

^c UNIVERSITY OF BASEL   (Switzerland)

^d ARGONNE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BORON NITRIDE; III-V SEMICONDUCTORS; MOLECULES; MONOMERS; MONTE CARLO METHODS; NITRIDES;

ADSORPTION SITE; DIFFUSION MONTE CARLO; EXCHANGE-CORRELATION FUNCTIONALS; HEXAGONAL BORON NITRIDE; INTERACTION ENERGIES; INTERACTION STRENGTH; QUANTUM MONTE CARLO; SIMULATION STUDIES;

DENSITY FUNCTIONAL THEORY;

EID: 84929379834     PISSN: 00219606     EISSN: 10897690     Source Type: Journal    
DOI: 10.1063/1.4921106     Document Type: Article

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