Exploring water adsorption on isoelectronically doped graphene using alchemical derivatives

alchemical derivatives Yasmine S. Al-Hamdani, 2 Angelos Michaelides, 3 and O. Anatole von Lilienfeld a) Thomas Young Centre and London Centre for Nanotechnology, 17–19 Gordon Street, London, WC1H 0AH, U.K. Department of Chemistry, University College London, 20 Gordon Street, London, WC1H 0AJ, U.K. Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, U.K. Institute of Physical Chemistry and National Center for Computational Design and Discovery of Novel Materials (MARVEL), Department of Chemistry, University of Basel, Klingelbergstrasse 80 CH-4056 Basel, Switzerland