Alberto Roldan
Alberto Roldan
Univerisity Research Fellow, Cardiff Univeristy
Verified email at cardiff.ac.uk - Homepage
TitleCited byYear
Critical Size for O2 Dissociation by Au Nanoparticles
A Roldán, S González, JM Ricart, F Illas
ChemPhysChem 10 (2), 348-351, 2009
1082009
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
992015
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
832014
Theoretical Confirmation of the Enhanced Facility to Increase Oxygen Vacancy Concentration in TiO2 by Iron Doping
A Roldán, M Boronat, A Corma, F Illas
The Journal of Physical Chemistry C 114 (14), 6511-6517, 2010
622010
A density functional theory study of the adsorption of benzene on hematite (α-Fe2O3) surfaces
N Dzade, A Roldan, N de Leeuw
Minerals 4 (1), 89-115, 2014
592014
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
552016
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, 2015
512015
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 (4-6), 565-573, 2008
492008
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
452014
O 2 adsorption and dissociation on neutral, positively and negatively charged Aun (n= 5–79) clusters
A Roldán, JM Ricart, F Illas, G Pacchioni
Physical Chemistry Chemical Physics 12 (36), 10723-10729, 2010
442010
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
392014
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
392013
Influence of the exchange–correlation potential on the description of the molecular mechanism of oxygen dissociation by Au nanoparticles
A Roldán, JM Ricart, F Illas
Theoretical Chemistry Accounts 123 (1-2), 119-126, 2009
392009
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
372010
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
362017
Adsorption of methylamine on mackinawite (FeS) surfaces: A density functional theory study
NY Dzade, A Roldan, NH De Leeuw
The Journal of chemical physics 139 (12), 124708, 2013
342013
First-principles study of the inversion thermodynamics and electronic structure of Fe M 2 X 4 (thio) spinels (M= Cr, Mn, Co, Ni; X= O, S)
D Santos-Carballal, A Roldan, R Grau-Crespo, NH de Leeuw
Physical Review B 91 (19), 195106, 2015
322015
The role of hydrogen bonding and proton transfer in the formation of uracil networks on the gold (100) surface: A density functional theory approach
S Irrera, A Roldan, G Portalone, NH De Leeuw
The Journal of Physical Chemistry C 117 (8), 3949-3957, 2013
312013
O2 Activation by Au5 Clusters Stabilized on Clean and Electron-Rich MgO Stepped Surfaces
A Roldán, JM Ricart, F Illas, G Pacchioni
The Journal of Physical Chemistry C 114 (40), 16973-16978, 2010
292010
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
272014
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Articles 1–20