All Stories

  1. Magneto-optical coupling and Kerr effect in PbNiO3, PbCrO3, and PbMnO3 multiferroics: An excited-states approach

    Article • Journal of Magnetism and Magnetic Materials, November 2020, Elsevier

    Professor Sergio Ricardo de Lazaro

  2. Atomistic Perspective on the Intrinsic White-Light Photoluminescence of Rare-Earth Free MgMoO4 Nanoparticles

    Article • Crystal Growth & Design, September 2020, American Chemical Society (ACS)

    Professor Sergio Ricardo de Lazaro

  3. Density Functional Theory investigation of rhombohedral multiferroic oxides for photocatalytic water splitting and organic photodegradation

    Article • Journal of Photochemistry and Photobiology A Chemistry, September 2020, Elsevier

    Professor Sergio Ricardo de Lazaro

  4. Quantum mechanical modeling of Zn‐based spinel oxides: Assessing the structural, vibrational, and electronic properties

    Article • International Journal of Quantum Chemistry, July 2020, Wiley

    Professor Sergio Ricardo de Lazaro

  5. A broad theoretical investigation of R ‐3, R 3 c , and R ‐3 c polymorphs of FeCrO 3

    Article • Journal of the American Ceramic Society, June 2020, Wiley

    Professor Sergio Ricardo de Lazaro

  6. Connecting theory with experiment to understand the photocatalytic activity of CuO–ZnO heterostructure

    Article • Ceramics International, May 2020, Elsevier

    Professor Sergio Ricardo de Lazaro

  7. Structural, electronic, vibrational and magnetic properties of Zn2+ substituted MnCr2O4 nanoparticles

    Article • Journal of Magnetism and Magnetic Materials, May 2020, Elsevier

    Professor Sergio Ricardo de Lazaro

  8. A DFT investigation on magnetoelectric coupling in PbBO3 (B = V, Cr, Mn, Co, and Cu) materials: The influence on multiferroic properties

    Article • Journal of Magnetism and Magnetic Materials, April 2020, Elsevier

    Professor Sergio Ricardo de Lazaro

  9. Connecting the surface structure, morphology and photocatalytic activity of Ag2O: An in depth and unified theoretical investigation

    Article • Applied Surface Science, April 2020, Elsevier

    Professor Sergio Ricardo de Lazaro

  10. Theoretical investigation on the surface and morphological properties of lead nickelate multiferroics: vacancy dependency

    Article • Journal of Materials Science, March 2020, Springer Science + Business Media

    Professor Sergio Ricardo de Lazaro

  11. Disclosing the Structural, Electronic, Magnetic, and Morphological Properties of CuMnO2: A Unified Experimental and Theoretical Approach

    Article • The Journal of Physical Chemistry C, February 2020, American Chemical Society (ACS)

    Professor Sergio Ricardo de Lazaro

  12. The antibacterial activity of p-tert-butylcalix[6]arene and its effect on a membrane model: molecular dynamics and Langmuir film studies

    Article • Physical Chemistry Chemical Physics, January 2020, Royal Society of Chemistry

    Professor Sergio Ricardo de Lazaro

  13. Recent progress and approaches on the synthesis of Mn-doped zinc oxide nanoparticles: a theoretical and experimental investigation on the photocatalytic performance

    Article • New Journal of Chemistry, January 2020, Royal Society of Chemistry

    Professor Sergio Ricardo de Lazaro

  14. Structural, electronic and magnetic properties of Sc3+ doped CoCr2O4 nanoparticles

    Article • New Journal of Chemistry, January 2020, Royal Society of Chemistry

    Professor Sergio Ricardo de Lazaro

  15. Unraveling the relationship between exposed surfaces and the photocatalytic activity of Ag3PO4: an in-depth theoretical investigation

    Article • RSC Advances, January 2020, Royal Society of Chemistry

    Professor Sergio Ricardo de Lazaro

  16. First principle investigation of the exposed surfaces and morphology of β-ZnMoO4

    Article • Journal of Applied Physics, December 2019, American Institute of Physics

    Professor Sergio Ricardo de Lazaro, Renan Ribeiro

  17. Temperature dependence on phase evolution in the BaTiO 3 polytypes studied using ab initio calculations

    Article • International Journal of Quantum Chemistry, October 2019, Wiley

    Professor Sergio Ricardo de Lazaro

  18. Magnetic, electronic, ferroelectric, structural and topological analysis of AlFeO3, FeAlO3, FeVO3, BiFeO3 and PbFeO3 materials: Theoretical evidences of magnetoelectric coupling

    Article • Journal of Magnetism and Magnetic Materials, June 2019, Elsevier

    Professor Sergio Ricardo de Lazaro

  19. Towards enhancing the magnetic properties by morphology control of ATiO3 (A = Mn, Fe, Ni) multiferroic materials

    Article • Journal of Magnetism and Magnetic Materials, April 2019, Elsevier

    Professor Sergio Ricardo de Lazaro

  20. Ruthenium(II)-arene complexes with monodentate aminopyridine ligands: Insights into redox stability and electronic structures and biological activity

    Article • Journal of Organometallic Chemistry, February 2019, Elsevier

    Professor Sergio Ricardo de Lazaro

  21. DFT simulations to clarify the molecular origin of magnetoelectric coupling in R3c materials based on Fe

    Article • New Journal of Chemistry, January 2019, Royal Society of Chemistry

    Professor Sergio Ricardo de Lazaro

  22. Computational Chemistry Meets Experiments for Explaining the Geometry, Electronic Structure, and Optical Properties of Ca10V6O25

    Article • Inorganic Chemistry, November 2018, American Chemical Society (ACS)

    Professor Sergio Ricardo de Lazaro

  23. Multiferroism and magnetic ordering in new NiBO 3 (B = Ti, Ge, Zr, Sn, Hf and Pb) materials: A DFT study

    Article • Journal of Magnetism and Magnetic Materials, November 2018, Elsevier

    Professor Sergio Ricardo de Lazaro

  24. Improvement of multiferroic property and change of magnetic ordering in new ANiO3 (A = Ti, Ge, Zr, Sn, Hf and Pb)

    Article • Computational Materials Science, October 2018, Elsevier

    Professor Sergio Ricardo de Lazaro

  25. Experimental and theoretical interpretation of magnetic ground state of FeMnO3

    Article • Journal of Alloys and Compounds, September 2018, Elsevier

    Professor Sergio Ricardo de Lazaro

  26. Theoretical approach for determining the relation between the morphology and surface magnetism of Co 3 O 4

    Article • Journal of Magnetism and Magnetic Materials, May 2018, Elsevier

    Professor Sergio Ricardo de Lazaro

  27. A DFT investigation of the role of oxygen vacancies on the structural, electronic and magnetic properties of ATiO3 (A = Mn, Fe, Ni) multiferroic materials

    Article • Physical Chemistry Chemical Physics, January 2018, Royal Society of Chemistry

    Professor Sergio Ricardo de Lazaro

  28. Structural, vibrational and electronic properties of the superconductor CuxTiSe2: theoretical and experimental insights

    Article • Physical Chemistry Chemical Physics, January 2018, Royal Society of Chemistry

    Professor Sergio Ricardo de Lazaro

  29. Experimental and theoretical study of the energetic, morphological, and photoluminescence properties of CaZrO3:Eu3+

    Article • CrystEngComm, January 2018, Royal Society of Chemistry

    Professor Sergio Ricardo de Lazaro

  30. Isomorphic substitution and intermediary energy levels: A new application of DFT modelling and semiconductor theory to describe p-n type junctions interface in heterostructures

    Article • physica status solidi (b), July 2017, Wiley

    Professor Sergio Ricardo de Lazaro

  31. DFT/B3LYP study on structural, electronic and dielectric properties of SnZr 0.50 Ti 0.50 O 3 lead-free ferroelectric material

    Article • Journal of Alloys and Compounds, April 2017, Elsevier

    Professor Sergio Ricardo de Lazaro

  32. A theoretical investigation of the Zn-doping influence on structural and electronic properties of BaTiO3

    Article • Solid State Ionics, December 2016, Elsevier

    Professor Sergio Ricardo de Lazaro

  33. Synthesis, antimicrobial activity and advances in structure-activity relationships (SARs) of novel tri-substituted thiazole derivatives

    Article • European Journal of Medicinal Chemistry, November 2016, Elsevier

    Professor Sergio Ricardo de Lazaro

  34. PM6, PM7 and RM1 Quantum Chemistry Modeling of MEH-PPV and PEDOT Polymers

    Article • Current Physical Chemistry, May 2016, Bentham Science Publishers

    Professor Sergio Ricardo de Lazaro

  35. Theoretical Investigation on Jahn-Teller Effect and Bulk-Modulus of FeGeO3

    Article • Current Physical Chemistry, May 2016, Bentham Science Publishers

    Professor Sergio Ricardo de Lazaro

  36. Band-Gap Engineering for Photocatalytic Applications: Anionic and Cationic Doping of TiO2 Anatase

    Article • Current Physical Chemistry, March 2016, Bentham Science Publishers

    Professor Sergio Ricardo de Lazaro

  37. Influence of the Ba-Doping to Improvement of Ferroelectric, Optical and Electronic Properties of Wurtzite-ZnO Material: A DFT Study

    Article • Current Physical Chemistry, March 2016, Bentham Science Publishers

    Professor Sergio Ricardo de Lazaro

  38. Theoretical Investigation on PEDOT Polymeric Chain Structure through Dimeric Rotational Barrier

    Article • Current Physical Chemistry, March 2016, Bentham Science Publishers

    Professor Sergio Ricardo de Lazaro

  39. A DFT/B3LYP Investigation of Sulfur Doping at 6.25% on ZnO Material

    Article • Current Physical Chemistry, February 2016, Bentham Science Publishers

    Professor Sergio Ricardo de Lazaro

  40. Ba-DOPED ZnO MATERIALS: A DFT SIMULATION TO INVESTIGATE THE DOPING EFFECT ON FERROELECTRICITY

    Article • Química Nova, January 2016, GN1 Genesis Network

    Professor Sergio Ricardo de Lazaro

  41. Photoelectrochemical and theoretical investigation of the photocatalytic activity of TiO2 : N

    Article • RSC Advances, January 2016, Royal Society of Chemistry

    Professor Sergio Ricardo de Lazaro

  42. An experimental and theoretical study of the aggregate structure of calix[6]arenes in Langmuir films at the water/air interface

    Article • Physical Chemistry Chemical Physics, January 2016, Royal Society of Chemistry

    Professor Sergio Ricardo de Lazaro

  43. The role of exchange–correlation functional on the description of multiferroic properties using density functional theory: the ATiO3 (A = Mn, Fe, Ni) case study

    Article • RSC Advances, January 2016, Royal Society of Chemistry

    Professor Sergio Ricardo de Lazaro

  44. Theoretical investigation of optical and structural properties of Ba-doped ZnO material

    Article • IOP Conference Series Materials Science and Engineering, November 2015, Institute of Physics Publishing

    Professor Sergio Ricardo de Lazaro

  45. Electronic structure and magnetism of new ilmenite compounds for spintronic devices: FeBO3 (B = Ti, Hf, Zr, Si, Ge, Sn)

    Article • Journal of Magnetism and Magnetic Materials, November 2015, Elsevier

    Professor Sergio Ricardo de Lazaro

  46. Density Functional Theory applied to magnetic materials: Mn3O4 at different hybrid functionals

    Article • Journal of Magnetism and Magnetic Materials, October 2015, Elsevier

    Professor Sergio Ricardo de Lazaro

  47. Preparation and characterization of LbL films based on graphene oxide nanoparticles interacting with 3-n-propylpyridinium silsesquioxane chloride

    Article • Surface and Coatings Technology, August 2015, Elsevier

    Professor Sergio Ricardo de Lazaro

  48. Structural, electronic and elastic properties of FeBO3(B = Ti, Sn, Si, Zr) ilmenite: a density functional theory study

    Article • RSC Advances, January 2014, Royal Society of Chemistry

    Professor Sergio Ricardo de Lazaro

  49. Interaction of para-tert-butylcalix[6]arene molecules in Langmuir films with cadmium ions and their effects on molecular conformation and surface potential

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Professor Sergio Ricardo de Lazaro, Professor Alexandre Camilo Jr

  50. THEORETICAL INVESTIGATIONS OF THE BULK MODULUS IN THE TETRA-CUBIC TRANSITION OF PbTiO 3 MATERIAL

    Article • Química Nova, January 2014, GN1 Genesis Network

    Professor Sergio Ricardo de Lazaro

  51. Energia de superfície para nanossuperfícies de TiO2 na direção (001)

    Article • Química Nova, January 2012, FapUNIFESP (SciELO)

    Professor Sergio Ricardo de Lazaro

  52. Optical and morphological properties of Ce-doped TiO2–MoO3 ceramic matrix

    Article • Ceramics International, January 2012, Elsevier

    Professor Sergio Ricardo de Lazaro

  53. Reply to “Comment on ‘ Pb 1 − x Ca x TiO 3 solid solution ( x = 0.0 , 0.25, 0.50, and 0.75): A theoretical and experimental approach’”

    Article • Physical Review B, February 2010, American Physical Society (APS)

    Professor Sergio Ricardo de Lazaro

  54. The role of oxygen vacancy in the photoluminescence property at room temperature of the CaTiO3

    Article • Journal of Applied Physics, August 2009, American Institute of Physics

    Professor Sergio Ricardo de Lazaro

  55. Structural conditions that leads to photoluminescence emission in SrTiO3: An experimental and theoretical approach

    Article • Journal of Applied Physics, July 2008, American Institute of Physics

    Professor Sergio Ricardo de Lazaro

  56. Strong violet–blue light photoluminescence emission at room temperature in SrZrO3: Joint experimental and theoretical study

    Article • Acta Materialia, June 2008, Elsevier

    Professor Sergio Ricardo de Lazaro

  57. Combined13C NMR and DFT/GIAO studies of the polyketides Aurasperone A and Fonsecinone A

    Article • International Journal of Quantum Chemistry, January 2008, Wiley

    Professor Sergio Ricardo de Lazaro

  58. Blue-green and red photoluminescence in CaTiO3:Sm

    Article • Journal of Luminescence, October 2007, Elsevier

    Professor Sergio Ricardo de Lazaro

  59. Er3+ as marker for order–disorder determination in the PbTiO3 system

    Article • Chemical Physics, May 2007, Elsevier

    Professor Sergio Ricardo de Lazaro

  60. Pb 1 − x Ca x TiO 3 solid solution ( x = 0.0 , 0.25, 0.50, and 0.75): A theoretical and experimental approach

    Article • Physical Review B, April 2007, American Physical Society (APS)

    Professor Sergio Ricardo de Lazaro

  61. Relation between photoluminescence emission and local order-disorder in the CaTiO3 lattice modifier

    Article • Applied Physics Letters, March 2007, American Institute of Physics

    Professor Sergio Ricardo de Lazaro

  62. Correlation among Order−Disorder, Electronic Levels, and Photoluminescence in Amorphous CT:Sm

    Article • Chemistry of Materials, June 2006, American Chemical Society (ACS)

    Professor Sergio Ricardo de Lazaro

  63. Electronic structure of Pb1−xLaxTiO3 ferroelectric materials from Ti 2p and O 1s soft x-ray absorption spectroscopy

    Article • Journal of Applied Physics, February 2006, American Institute of Physics

    Professor Sergio Ricardo de Lazaro

  64. Hybrid Organic−Inorganic Polymer:  A New Approach for the Development of Decoupled Polymer Electrolytes

    Article • Chemistry of Materials, September 2005, American Chemical Society (ACS)

    Professor Sergio Ricardo de Lazaro

  65. Propriedades eletrônicas e estruturais do PbTiO3: teoria do funcional de densidade aplicada a modelos periódicos

    Article • Química Nova, February 2005, FapUNIFESP (SciELO)

    Professor Sergio Ricardo de Lazaro

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

    Article • Surface Science, March 2004, Elsevier

    Professor Sergio Ricardo de Lazaro

  67. Theoretical and experimental study on the photoluminescence in BaTiO3 amorphous thin films prepared by the chemical route

    Article • Journal of Luminescence, July 2003, Elsevier

    Professor Sergio Ricardo de Lazaro

  68. The role of network modifiers in the creation of photoluminescence in CaTiO3

    Article • Materials Chemistry and Physics, February 2003, Elsevier

    Professor Sergio Ricardo de Lazaro