Armando Beltrán

Overview

Best Publications

• Crystal growth in colloidal tin oxide nanocrystals induced by coalescence at room temperature

  E. R. Leite;T. R. Giraldi;F. M. Pontes;E. Longo

  320
  Citations

• Density functional theory study of the brookite surfaces and phase transitions between natural titania polymorphs.

  A Beltrán;L Gracia;J Andrés

  217
  Citations

• Thermodynamic argument about SnO2 nanoribbon growth

  A. Beltrán;J. Andrés;E. Longo;E. R. Leite

  168
  Citations

• Density functional theory calculation of the electronic structure of Ba 0.5 Sr 0.5 TiO 3 : Photoluminescent properties and structural disorder

  Elson Longo;E. Orhan;F. M. Pontes;C. D. Pinheiro

  164
  Citations

• Room-temperature photoluminescence of BaTiO3: Joint experimental and theoretical study

  E. Orhan;José Arana Varela;A. Zenatti;Mfc Gurgel

  160
  Citations

• Static simulation of bulk and selected surfaces of anatase TiO2

  A Beltrán;J.R Sambrano;M Calatayud;F.R Sensato

  160
  Citations

• Periodic study on the structural and electronic properties of bulk, oxidized and reduced SnO2(1 1 0) surfaces and the interaction with O2

  Fabrı́cio R Sensato;Rogério Custódio;Mònica Calatayud;Armando Beltrán

  145
  Citations

• A Systematic Density Functional Theory Study of VxOy+ and VxOY (X = 2−4, Y = 2−10) Systems

  Mònica Calatayud;Juan Andrés;Armando Beltrán

  140
  Citations

• Topological analysis of electron density in depleted homopolar chemical bonds

  Rosa Llusar;Armando Beltrán;Juan Andrés;Stéphane Noury

  128
  Citations

• Characterization of the High-Pressure Structures and Phase Transformations in SnO2. A Density Functional Theory Study

  L. Gracia;and A. Beltrán;J. Andrés

  120
  Citations

• A combined theoretical and experimental study of electronic structure and optical properties of β-ZnMoO4 microcrystals

  L. S. Cavalcante;E. Moraes;M. A P Almeida;C. J. Dalmaschio

  117
  Citations

• Presence of excited electronic state in CaWO4 crystals provoked by a tetrahedral distortion: An experimental and theoretical investigation

  Lourdes Gracia;Valéria M. Longo;Laécio S. Cavalcante;Armando Beltrán

  116
  Citations

• Electronic and structural properties of SnxTi1−xO2 solid solutions: a periodic DFT study

  Fabrício R. Sensato;Rogério Custodio;Elson Longo;Armando Beltrán

  101
  Citations

• Density functional theory study on the structural and electronic properties of low index rutile surfaces for TiO2/SnO2/TiO2 and SnO2/TiO2/SnO2 composite systems.

  A. Beltran;J. Andres;J. R. Sambrano;Elson Longo

  101
  Citations

• A theoretical analysis of adsorption and dissociation of CH3OH on the stoichiometric SnO2(110) surface

  M Calatayud;J Andrés;A Beltrán

  97
  Citations

• 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

  95
  Citations

• Structural and electronic properties of PbTiO3 slabs: a DFT periodic study

  Sergio de Lazaro;Sergio de Lazaro;Elson Longo;Julio Ricardo Sambrano;Julio Ricardo Sambrano;Armando Beltrán

  94
  Citations

• Structure and Bonding of Chlorine Oxides and Peroxides: ClOx, ClOx-(x= 1-4), and Cl2Ox(x= 1-8)

  Armando Beltrán;Juan Andrés;Stéphane Noury;Bernard Silvi

  93
  Citations

• Structural and vibrational study of cubic Sb2O3 under high pressure

  A. L. J. Pereira;A. L. J. Pereira;L. Gracia;D. Santamaria-Perez;R. Vilaplana

  92
  Citations

• A Joint Experimental and Theoretical Study on the Nanomorphology of CaWO4 Crystals

  Valeria M. Longo;Lourdes Gracia;Daniel G. Stroppa;Laecio S. Cavalcante

  91
  Citations

• 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;and F. Fuster

  91
  Citations