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Alberto Roldan
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Bio-inspired CO 2 conversion by iron sulfide catalysts under sustainable conditions
A Roldan, N Hollingsworth, A Roffey, HU Islam, JBM Goodall, ...
Chemical Communications 51 (35), 7501-7504, 2015
1912015
A DFT study of the structures, stabilities and redox behaviour of the major surfaces of magnetite Fe 3 O 4
D Santos-Carballal, A Roldan, R Grau-Crespo, NH de Leeuw
Physical Chemistry Chemical Physics 16 (39), 21082-21097, 2014
1692014
Role of the support in gold-containing nanoparticles as heterogeneous catalysts
M Sankar, Q He, RV Engel, MA Sainna, AJ Logsdail, A Roldan, DJ Willock, ...
Chemical reviews 120 (8), 3890-3938, 2020
1452020
CuO Surfaces and CO2 Activation: A Dispersion-Corrected DFT+U Study
AK Mishra, A Roldan, NH de Leeuw
The Journal of Physical Chemistry C 120 (4), 2198-2214, 2016
1392016
Product tunable behavior of carbon nanotubes-supported Ni–Fe catalysts for guaiacol hydrodeoxygenation
H Fang, J Zheng, X Luo, J Du, A Roldan, S Leoni, Y Yuan
Applied Catalysis A: General 529, 20-31, 2017
1252017
Critical Size for O2 Dissociation by Au Nanoparticles
A Roldán, S González, JM Ricart, F Illas
ChemPhysChem 10 (2), 348-351, 2009
1232009
A Density Functional Theory Study of the Adsorption of Benzene on Hematite (α-Fe2O3) Surfaces
NY Dzade, A Roldan, NH De Leeuw
Minerals 4 (1), 89-115, 2014
1112014
Multichannel detection and differentiation of explosives with a quantum dot array
WJ Peveler, A Roldan, N Hollingsworth, MJ Porter, IP Parkin
ACS nano 10 (1), 1139-1146, 2016
1012016
Active nature of primary amines during thermal decomposition of nickel dithiocarbamates to nickel sulfide nanoparticles
N Hollingsworth, A Roffey, HU Islam, M Mercy, A Roldan, W Bras, ...
Chemistry of Materials 26 (21), 6281-6292, 2014
802014
A comparative DFT study of the mechanical and electronic properties of greigite Fe3S4 and magnetite Fe3O4
A Roldan, D Santos-Carballal, NH de Leeuw
The Journal of Chemical Physics 138 (20), 204712, 2013
792013
First-principles study of the inversion thermodynamics and electronic structure of (thio)spinels (, Mn, Co, Ni; , S)
D Santos-Carballal, A Roldan, R Grau-Crespo, NH de Leeuw
Physical Review B 91 (19), 195106, 2015
762015
Theoretical Confirmation of the Enhanced Facility to Increase Oxygen Vacancy Concentration in TiO2 by Iron Doping
A Roldan, M Boronat, A Corma, F Illas
The Journal of Physical Chemistry C 114 (14), 6511-6517, 2010
762010
Adsorption of hydrazine on the perfect and defective copper (111) surface: a dispersion-corrected DFT study
SS Tafreshi, A Roldan, NY Dzade, NH De Leeuw
Surface science 622, 1-8, 2014
742014
Bulk and surface properties of metal carbides: implications for catalysis
MG Quesne, A Roldan, NH de Leeuw, CRA Catlow
Physical Chemistry Chemical Physics 20 (10), 6905-6916, 2018
692018
Density functional studies of coinage metal nanoparticles: scalability of their properties to bulk
A Roldán, F Viñes, F Illas, JM Ricart, KM Neyman
Theoretical Chemistry Accounts 120 (4), 565-573, 2008
642008
Electronic and magnetic structure of bulk cobalt: The , , and -phases from density functional theory calculations
VA de la Peña O’Shea, IPR Moreira, A Roldán, F Illas
The Journal of Chemical Physics 133 (2), 024701, 2010
612010
Density functional theory study of the adsorption of hydrazine on the perfect and defective copper (100),(110), and (111) surfaces
SS Tafreshi, A Roldan, NH de Leeuw
The Journal of Physical Chemistry C 118 (45), 26103-26114, 2014
562014
A density functional theory study of the adsorption behaviour of CO2 on Cu2O surfaces
AK Mishra, A Roldan, NH de Leeuw
The Journal of Chemical Physics 145 (4), 044709, 2016
552016
Hydrogen generation from additive-free formic acid decomposition under mild conditions by Pd/C: Experimental and DFT studies
F Sanchez, D Motta, A Roldan, C Hammond, A Villa, N Dimitratos
Topics in catalysis 61 (3), 254-266, 2018
532018
Activation and dissociation of CO2 on the (001), (011), and (111) surfaces of mackinawite (FeS): A dispersion-corrected DFT study
NY Dzade, A Roldan, NH de Leeuw
The Journal of chemical physics 143 (9), 094703, 2015
512015
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