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Physical Chemistry Chemical Physics

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Surface and shape modification of mackinawite (FeS) nanocrystals by cysteine adsorption: a first-principles DFT-D2 study

N. Y. Dzade,*a   A. Roldanb and   N. H. de Leeuw*ab  
Corresponding authors
Department of Earth Sciences, Utrecht University, Princetonplein 9, 3584 CC, Utrecht, The Netherlands
E-mail: N.Y.Dzade@uu.nl, N.H.Deleeuw@uu.nl
School of Chemistry, Cardiff University, Main Building, Park Place, Cardiff, UK
Phys. Chem. Chem. Phys., 2016,18, 32007-32020

DOI: 10.1039/C6CP05913A
Received 26 Aug 2016, Accepted 22 Sep 2016
First published online 22 Sep 2016
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