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
234 2006 Experimental and Theoretical Study on the Structure, Optical Properties, and Growth of Metallic Silver Nanostructures in Ag3 PO4 G Botelho, JC Sczancoski, J Andres, L Gracia, E Longo
The Journal of Physical Chemistry C 119 (11), 6293-6306, 2015
166 2015 Toward an Understanding of the Growth of Ag Filaments on α-Ag2 WO4 and Their Photoluminescent Properties: A Combined Experimental and Theoretical Study E Longo, DP Volanti, VM Longo, L Gracia, IC Nogueira, MAP Almeida, ...
The Journal of Physical Chemistry C 118 (2), 1229-1239, 2014
158 2014 Facet-dependent photocatalytic and antibacterial properties of α-Ag 2 WO 4 crystals: combining experimental data and theoretical insights RA Roca, JC Sczancoski, IC Nogueira, MT Fabbro, HC Alves, L Gracia, ...
Catalysis Science & Technology 5 (8), 4091-4107, 2015
155 2015 ZnWO 4 nanocrystals: synthesis, morphology, photoluminescence and photocatalytic properties PFS Pereira, AF Gouveia, M Assis, RC De Oliveira, IM Pinatti, M Penha, ...
Physical Chemistry Chemical Physics 20 (3), 1923-1937, 2018
137 2018 Structural and electronic analysis of the atomic scale nucleation of Ag on α-Ag2 WO4 induced by electron irradiation J Andrés, L Gracia, P Gonzalez-Navarrete, VM Longo, W Avansi Jr, ...
Scientific reports 4 (1), 5391, 2014
128 2014 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
122 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
122 2007 Effects of surface stability on the morphological transformation of metals and metal oxides as investigated by first-principles calculations J Andrés, L Gracia, AF Gouveia, MM Ferrer, E Longo
Nanotechnology 26 (40), 405703, 2015
108 2015 Photoluminescence and Photocatalytic Properties of Ag3 PO4 Microcrystals: An Experimental and Theoretical Investigation G Botelho, J Andres, L Gracia, LS Matos, E Longo
ChemPlusChem 81 (2), 202-212, 2016
98 2016 Structural and vibrational study of cubic Sb_ {2} O_ {3} under high pressure ALJ Pereira, L Gracia, D Santamaría-Pérez, R Vilaplana, FJ Manjón, ...
Physical Review B 85 (17), 174108, 2012
95 2012 Toward Understanding the Photocatalytic Activity of PbMoO4 Powders with Predominant (111), (100), (011), and (110) Facets. A Combined Experimental and … MRD Bomio, RL Tranquilin, FV Motta, CA Paskocimas, RM Nascimento, ...
The Journal of Physical Chemistry C 117 (41), 21382-21395, 2013
93 2013 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 Theoretical Study on the Molecular Mechanism for the Reaction of VO2 + with C2 H4 L Gracia, JR Sambrano, VS Safont, M Calatayud, A Beltrán, J Andrés
The Journal of Physical Chemistry A 107 (17), 3107-3120, 2003
88 2003 Surfactant-Mediated Morphology and Photocatalytic Activity of α-Ag2 WO4 Material NG Macedo, AF Gouveia, RA Roca, M Assis, L Gracia, J Andres, ER Leite, ...
The Journal of Physical Chemistry C 122 (15), 8667-8679, 2018
87 2018 Identifying and rationalizing the morphological, structural, and optical properties of MT Fabbro, C Saliby, LR Rios, FA La Porta, L Gracia, MS Li, J Andrés, ...
Science and Technology of Advanced Materials 16 (6), 065002, 2015
82 2015 Compression of scheelite-type SrMoO4 under quasi-hydrostatic conditions: Redefining the high-pressure structural sequence D Errandonea, L Gracia, R Lacomba-Perales, A Polian, JC Chervin
Journal of Applied Physics 113 (12), 2013
82 2013 DFT study of the reaction between VO2+ and C2H6 L Gracia, J Andrés, VS Safont, A Beltran, JR Sambrano
Organometallics 23 (4), 730-739, 2004
82 2004 Mechanism of Antibacterial Activity via Morphology Change of α-AgVO3 : Theoretical and Experimental Insights RC De Oliveira, CC De Foggi, MM Teixeira, MDP Da Silva, M Assis, ...
ACS applied materials & interfaces 9 (13), 11472-11481, 2017
79 2017 Structural study of α-Bi2O3 under pressure ALJ Pereira, D Errandonea, A Beltran, L Gracia, O Gomis, JA Sans, ...
Journal of Physics: Condensed Matter 25 (47), 475402, 2013
79 2013 