Electronic structure computations of Newton Black Films†
Abstract
We investigate using quantum density functional theory (DFT) the electronic structure of
- This article is part of the themed collection: Modelling of Materials
* Corresponding authors
a
Department of Chemistry, Imperial College London, London, UK
E-mail:
fbresme@imperial.ac.uk
Tel: +44 (0)207 594 5886
b
Department of Earth Sciences, University of Cambridge, Downing Street, Cambridge, UK
E-mail:
ea245@cam.ac.uk
Tel: +44 (0)1223 333480
We investigate using quantum density functional theory (DFT) the electronic structure of
F. Bresme and E. Artacho, J. Mater. Chem., 2010, 20, 10351 DOI: 10.1039/C0JM01572E
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