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The last 5 uploaded publications
Adsorption and diffusion of water on graphene from first principles
Jie Ma, Angelos Michaelides, Dario Alfè, Laurids Schimka, Kresse Georg, Enge Wang (2011). Adsorption and diffusion of water on graphene from first principles. Physical Review B, 84(3), DOI: 10.1103/physrevb.84.033402.
Article294 days agoPhysisorption of Water on Graphene: Subchemical Accuracy from Many-Body Electronic Structure Methods
Jan Gerit Brandenburg, Andrea Zen, Martin Fitzner, Benjamin Ramberger, Kresse Georg, Theodoros Tsatsoulis, Andreas Grüneis, Angelos Michaelides, Dario Alfè (2019). Physisorption of Water on Graphene: Subchemical Accuracy from Many-Body Electronic Structure Methods. The Journal of Physical Chemistry Letters, 10(3), pp. 358-368, DOI: 10.1021/acs.jpclett.8b03679.
Article293 days agopH-dependent water permeability switching and its memory in MoS2 membranes
Chengyi Hu, Amritroop Achari, P.N. Rowe, Hui Xiao, Swathi Suran, Zhe Li, Kun Huang, Chenglong Chi, Christie Thomas Cherian, Vishnu Sreepal, Phillip Bentley, Andrew Pratt, Ning Zhang, Konstantin ‘kostya’ Novoselov, Angelos Michaelides, Rahul R. Nair (2023). pH-dependent water permeability switching and its memory in MoS2 membranes. Nature, 616(7958), pp. 719-723, DOI: 10.1038/s41586-023-05849-4.
Article285 days agoProperties of the water to boron nitride interaction: From zero to two dimensions with benchmark accuracy
Yasmine S. Al-Hamdani, Mariana Rossi, Dario Alfè, Theodoros Tsatsoulis, Benjamin Ramberger, Jan Gerit Brandenburg, Andrea Zen, Kresse Georg, Andreas Grüneis, Alexandre Tkatchenko, Angelos Michaelides (2017). Properties of the water to boron nitride interaction: From zero to two dimensions with benchmark accuracy. The Journal of Chemical Physics, 147(4), DOI: 10.1063/1.4985878.
Article277 days agoPreface: Special Topic Section on Advanced Electronic Structure Methods for Solids and Surfaces
Angelos Michaelides, Todd J. Martı́nez, Ali Alavi, Kresse Georg, Frederick R. Manby (2015). Preface: Special Topic Section on Advanced Electronic Structure Methods for Solids and Surfaces. The Journal of Chemical Physics, 143(10), DOI: 10.1063/1.4930182.
Article277 days ago