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PHYSICAL REVIEW B 84, 033402 (2011) Adsorption and diffusion of water on graphene from first principles
 

Summary: PHYSICAL REVIEW B 84, 033402 (2011)
Adsorption and diffusion of water on graphene from first principles
Jie Ma,1
Angelos Michaelides,2,*
Dario Alf`e,3
Laurids Schimka,4
Georg Kresse,4
and Enge Wang5,1
1
Institute of Physics, Chinese Academy of Sciences, Box 603, Beijing 100190, China
2
London Centre for Nanotechnology & Department of Chemistry, University College London, London WC1H 0AJ, UK
3
Department of Earth Sciences & Department of Physics and Astronomy & London Centre for Nanotechnology, London, UK
4
University of Vienna, Faculty of Physics and Center for Computational Materials Science, Vienna, Austria
5
School of Physics, Peking University, Beijing 100871, China
(Received 6 May 2011; published 1 July 2011)
Water monomer adsorption on graphene is examined with state-of-the-art electronic structure approaches. The

  

Source: Alavi, Ali - Department of Chemistry, University of Cambridge
Alfè, Dario - Departments of Earth Sciences & Physics and Astronomy, University College London
Dellago, Christoph - Institute for Experimental Physics, Universität Wien

 

Collections: Chemistry; Geosciences; Materials Science; Physics