Browse by UCL people
Group by: Type | Date
Jump to: Article
Number of items: 4.
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.
|
|
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.
|
|
Tafreshi, SS;
Roldan, A;
de Leeuw, NH;
(2014)
Density Functional Theory Study of the Adsorption of Hydrazine on the Perfect and Defective Copper (100), (110), and (111) Surfaces.
JOURNAL OF PHYSICAL CHEMISTRY C
, 118
(45)
26103 - 26114.
10.1021/jp5078664.
|
 |
|
Tafreshi, SS;
Roldan, A;
Dzade, NY;
de Leeuw, NH;
(2014)
Adsorption of hydrazine on the perfect and defective copper (111) surface: A dispersion-corrected DFT study.
SURFACE SCIENCE
, 622
1 - 8.
10.1016/j.susc.2013.11.013.
|
|
