Crystal growth in colloidal tin oxide nanocrystals induced by coalescence at room temperature ER Leite, TR Giraldi, FM Pontes, E Longo, A Beltran, J Andres
Applied Physics Letters 83 (8), 1566-1568, 2003
296 2003 Density functional theory study of the brookite surfaces and phase transitions between natural titania polymorphs A Beltran, L Gracia, J Andres
The Journal of Physical Chemistry B 110 (46), 23417-23423, 2006
223 2006 Density functional theory calculation of the electronic structure of Ba 0.5 Sr 0.5 TiO 3: photoluminescent properties and structural disorder E Longo, E Orhan, FM Pontes, CD Pinheiro, ER Leite, JA Varela, ...
Physical Review B 69 (12), 125115, 2004
155 2004 Static simulation of bulk and selected surfaces of anatase TiO2 A Beltran, JR Sambrano, M Calatayud, FR Sensato, J Andres
Surface science 490 (1-2), 116-124, 2001
155 2001 Thermodynamic argument about A Beltrán, J Andrés, E Longo, ER Leite
Applied physics letters 83 (4), 635-637, 2003
142 2003 Room-temperature photoluminescence of Ba Ti O 3: Joint experimental and theoretical study E Orhan, JA Varela, A Zenatti, MFC Gurgel, FM Pontes, ER Leite, E Longo, ...
Physical Review B 71 (8), 085113, 2005
137 2005 Periodic study on the structural and electronic properties of bulk, oxidized and reduced SnO2 (1 1 0) surfaces and the interaction with O2 FR Sensato, R Custódio, M Calatayud, A Beltrán, J Andrés, JR Sambrano, ...
Surface Science 511 (1-3), 408-420, 2002
137 2002 A Systematic Density Functional Theory Study of Vx y + and Vx Y (X = 2−4, Y = 2−10) Systems M Calatayud, J Andrés, A Beltrán
The Journal of Physical Chemistry A 105 (42), 9760-9775, 2001
132 2001 Topological analysis of electron density in depleted homopolar chemical bonds R Llusar, A Beltrán, J Andrés, S Noury, B Silvi
Journal of computational chemistry 20 (14), 1517-1526, 1999
121 1999 Presence of excited electronic state in CaWO4 crystals provoked by a tetrahedral distortion: An experimental and theoretical investigation L Gracia, VM Longo, LS Cavalcante, A Beltrán, W Avansi, MS Li, ...
Journal of Applied Physics 110 (4), 2011
119 2011 Characterization of the high-pressure structures and phase transformations in SnO2. A density functional theory study L Gracia, A Beltrán, J Andrés
The Journal of Physical Chemistry B 111 (23), 6479-6485, 2007
115 2007 A combined theoretical and experimental study of electronic structure and optical properties of β-ZnMoO4 microcrystals LS Cavalcante, E Moraes, MAP Almeida, CJ Dalmaschio, NC Batista, ...
Polyhedron 54, 13-25, 2013
106 2013 Density Functional Theory Study on the Structural and Electronic Properties of Low Index Rutile Surfaces for TiO2 /SnO2 /TiO2 and SnO2 /TiO2 /SnO2 Composite … A Beltrán, J Andres, JR Sambrano, E Longo
The Journal of Physical Chemistry A 112 (38), 8943-8952, 2008
103 2008 A theoretical analysis of adsorption and dissociation of CH3OH on the stoichiometric SnO2 (110) surface M Calatayud, J Andrés, A Beltrán
Surface science 430 (1-3), 213-222, 1999
98 1999 Structure and Bonding of Chlorine Oxides and Peroxides: ClOx x - (x = 1−4), and Cl2 Ox x = 1−8) A Beltrán, J Andrés, S Noury, B Silvi
The Journal of Physical Chemistry A 103 (16), 3078-3088, 1999
96 1999 Electronic and structural properties of SnxTi1− xO2 solid solutions: a periodic DFT study FR Sensato, R Custodio, E Longo, A Beltrán, J Andrés
Catalysis today 85 (2-4), 145-152, 2003
95 2003 A Joint Experimental and Theoretical Study on the Nanomorphology of CaWO4 Crystals VM Longo, L Gracia, DG Stroppa, LS Cavalcante, M Orlandi, AJ Ramirez, ...
The Journal of Physical Chemistry C 115 (41), 20113-20119, 2011
92 2011 Topological Analysis of Multiple Metal−Metal Bonds in Dimers of the M2 (Formamidinate)4 Type with M = Nb, Mo, Tc, Ru, Rh, and Pd R Llusar, A Beltrán, J Andrés, F Fuster, B Silvi
The Journal of Physical Chemistry A 105 (41), 9460-9466, 2001
92 2001 A theoretical study on the structure, energetics and bonding of VOx+ and VOx (x= 1–4) systems M Calatayud, B Silvi, J Andrés, A Beltrán
Chemical physics letters 333 (6), 493-503, 2001
91 2001 Structural and electronic properties of PbTiO3 slabs: a DFT periodic study S de Lazaro, E Longo, JR Sambrano, A Beltrán
Surface Science 552 (1-3), 149-159, 2004
88 2004 