Browse by UCL people
Group by: Type | Date
Number of items: 3.
Article
Roldan, A;
Santos-Carballal, D;
de Leeuw, NH;
(2013)
A comparative DFT study of the mechanical and electronic properties of greigite Fe3S4 and magnetite Fe3O4.
The Journal of Chemical Physics
, 138
(20)
, Article 204712. 10.1063/1.4807614.
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Santos-Carballal, D;
Roldan, A;
Grau-Crespo, R;
de Leeuw, NH;
(2014)
A DFT study of the structures, stabilities and redox behaviour of the major surfaces of magnetite Fe3O4.
Physical Chemistry Chemical Physics
, 16
(39)
pp. 21082-21097.
10.1039/c4cp00529e.
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Thesis
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Santos Carballal, D;
(2015)
Computational studies of magnetite Fe₃O₄ and related spinel-structured materials.
Doctoral thesis , UCL (University College London).
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