All Stories

  1. Unveiling the Doping- and Temperature-Dependent Properties of Organic Semiconductor Orthorhombic Rubrene from First Principles

    Article • Solids, May 2024, MDPI AG

    Gboyega Augustine Adebayo, Paul Adebambo

  2. Unveiling the Doping and Temperature Dependent Properties of Organic Semiconductor Orthorhombic Rubrene from First-Principles

    Article • March 2024, MDPI AG

    Gboyega Augustine Adebayo, Paul Adebambo

  3. Stabilizing tetramethylammonium lead iodide perovskite and exploring its electronic and optical absorption for solar cell absorber application

    Article • Physical Chemistry Chemical Physics, January 2023, Royal Society of Chemistry

    Gboyega Augustine Adebayo

  4. Electronic, Elastic, and Thermoelectric Properties of Half-Heusler Topological Semi-Metal HfIrAs from First-Principles Calculations

    Article • Crystals, December 2022, MDPI AG

    Gboyega Augustine Adebayo

  5. First-Principles Calculations of the Phonon, Mechanical and Thermoelectric Properties of Half-Heusler Alloy VIrSi Alloys

    Article • Crystals, December 2022, MDPI AG

    Gboyega Augustine Adebayo, Paul Adebambo

  6. Single‐Component White Circularly Polarized Luminescence in Chiral 1D Double‐Chain Perovskites

    Article • Advanced Optical Materials, December 2022, Wiley

    Gboyega Augustine Adebayo

  7. First principle calculations of the structural, elastic, electronic and transport properties of XRuAs (X = Ta and V)

    Article • Materials Science in Semiconductor Processing, September 2022, Elsevier

    Gboyega Augustine Adebayo

  8. Effect of guest atoms on structural properties, electronics structure and optical spectra of BxCo4-XSb12 (X = 0 or 1, B = Fe or Al) skutterudites

    Article • Materials Science in Semiconductor Processing, March 2022, Elsevier

    Gboyega Augustine Adebayo

  9. Electronic, Structural, Mechanical, and Thermodynamic Properties of CoYSb (Y = Cr, Mo, W) Half-Heusler Compounds as Potential Spintronic Materials

    Article • Solids, January 2022, MDPI AG

    Gboyega Augustine Adebayo

  10. Bandgap Correction and Spin-Orbit Coupling Induced Absorption Spectra of Dimethylammonium Lead Iodide for Solar Cell Absorber

    Article • Frontiers in Energy Research, December 2021, Frontiers

    Gboyega Augustine Adebayo

  11. Skutterudite materials; AlyFexCo4-x-ySb12 (x = y = 1; x = 2, y = 1) for spintronics and optoelectronics applications

    Article • Computational Condensed Matter, December 2021, Elsevier

    Gboyega Augustine Adebayo

  12. The effective mass, fitness function and enhanced thermoelectric properties in CuSbS2 for p-type thermoelectric material applications: Density functional theory approach

    Article • Materials Science and Engineering B, November 2021, Elsevier

    Gboyega Augustine Adebayo

  13. Assessing the structural, electronic, elastic and thermoelectric properties of PtTiSn and PdLaBi transition metal alloys from the first-principles prospective

    Article • Materials Science in Semiconductor Processing, July 2021, Elsevier

    Paul Adebambo, Gboyega Augustine Adebayo

  14. Investigation of the thermoelectric properties of Lithium-Aluminium-Silicide (LiAlSi) compound from first-principles calculations

    Article • Computational Condensed Matter, June 2021, Elsevier

    Gboyega Augustine Adebayo

  15. Band structure and absorption spectra of NH4XI3 (X = Pb, Mg) based hybrid Perovskite for UV ray protector and electrochromic materials applications

    Article • Journal of Physics and Chemistry of Solids, April 2021, Elsevier

    Gboyega Augustine Adebayo

  16. Thermoelectric and mechanical properties of XHfSn (X=Ni, Pd and Pt) semiconducting Half-heusler alloys: A first-principles study

    Article • Computational Condensed Matter, March 2021, Elsevier

    Paul Adebambo, Gboyega Augustine Adebayo

  17. Predicting the band structure, transport properties, electronic fitness function and effective mass of PdTiSn indirect band-gap half-Heusler semiconductor

    Article • Materials Science in Semiconductor Processing, March 2021, Elsevier

    Gboyega Augustine Adebayo

  18. Exploring the electronic fitness function, effective mass, elastic and transport properties of RhTiP Half-Heusler alloy

    Article • Materials Science and Engineering B, February 2021, Elsevier

    Gboyega Augustine Adebayo

  19. Electronic fitness function, effective mass and thermoelectric properties of Rh-based (-ScTe; -TiSb; -VSn) alloys for thermoelectric generator applications

    Article • Computational Condensed Matter, December 2020, Elsevier

    Gboyega Augustine Adebayo

  20. DFT – GGA calculations of magnetic, elastic, thermodynamic and thermoelectric properties of Co2YAl (Y = Ti, V) full Heusler alloy systems

    Article • Materials Science and Engineering B, December 2020, Elsevier

    Gboyega Augustine Adebayo

  21. Design and theoretical study of phenothiazine-based low bandgap dye derivatives as sensitizers in molecular photovoltaics

    Article • Opto-electronics, October 2020, Springer Science + Business Media

    Gboyega Augustine Adebayo

  22. First-principles perspective on structural evolution, sequential lithiation and physicochemical properties of tin oxide nanoclusters: Sn3Oz and LixSn3Oz (x = 1-10 and z = 0, 3-7)

    Article • Materials Today Communications, September 2020, Elsevier

    Gboyega Augustine Adebayo

  23. Structural evolution, electronic and physicochemical properties of tin ozonide nanoclusters: a density functional theory perspective

    Article • Journal of Nanoparticle Research, September 2020, Springer Science + Business Media

    Gboyega Augustine Adebayo

  24. Predicting the stable Type-I phase of XMnSb (X= Co, Fe, Os) compounds and its thermodynamic, electronic and magnetic properties from first-principles calculations

    Article • Solid State Sciences, July 2020, Elsevier

    Gboyega Augustine Adebayo

  25. Lattice dynamics and thermodynamic investigation of MNiSn (M = Hf, Ti and Zr) Half-Heusler compounds: Density functional theory approach

    Article • Materials Today Communications, March 2020, Elsevier

    Gboyega Augustine Adebayo

  26. Band structure, thermoelectric properties, effective mass and electronic fitness function of two newly discovered 18 valence electrons stable half-Heusler TaX(X=Co,Ir)Sn semiconductors: A density functional theory approach

    Article • Solid State Sciences, February 2020, Elsevier

    Gboyega Augustine Adebayo

  27. First principle calculations of structural, electronic, optical and thermoelectric properties of tin (II) oxide

    Article • Materials Research Express, December 2019, Institute of Physics Publishing

    Gboyega Augustine Adebayo

  28. Effects of Y atom substitution on the structural, magnetic, electronic, elastic, mechanical, thermodynamic and thermoelectric properties of Co2YAl (Y = Cr, Mn) Full Heusler alloys from first principles investigations

    Article • Computational Condensed Matter, December 2019, Elsevier

    Gboyega Augustine Adebayo

  29. First principles comparative studies of thermoelectric and other properties in the cubic and hexagonal structure of CsCdCl3 halide perovskites

    Article • Computational Condensed Matter, December 2019, Elsevier

    Gboyega Augustine Adebayo, Paul Adebambo

  30. CK-RAID: Collaborative Knowledge Repository for Intrusion Detection System

    Article • Journal of Computing and Information Technology, November 2019, Faculty of Electrical Engineering and Computing, Univ. of Zagreb

    Gboyega Augustine Adebayo

  31. Predicting the elastic, phonon and thermodynamic properties of cubic HfNiX (X = Ge and Sn) Half Heulser alloys: a DFT study

    Article • Zeitschrift für Physik B Condensed Matter and Quanta, October 2019, Springer Science + Business Media

    Gboyega Augustine Adebayo

  32. Thermoelectric properties, optimal doping levels and high figure of merit in Cobalt-based Half/Full Heusler alloys by First-Principles calculations

    Article • Materials Science and Engineering B, September 2019, Elsevier

    Gboyega Augustine Adebayo

  33. A density functional theory analysis of the mechanical and dynamic stability and thermodynamic properties of pyrite-type ZnSe2 and ZnTe2

    Article • Computational Condensed Matter, June 2019, Elsevier

    Gboyega Augustine Adebayo

  34. Unraveling the Stable Phase, High Absorption Coefficient, Optical and Mechanical Properties of Hybrid Perovskite CH3NH3PbxMg1–xI3: Density Functional Approach

    Article • Journal of Inorganic and Organometallic Polymers and Materials, May 2019, Springer Science + Business Media

    Gboyega Augustine Adebayo

  35. DFT investigation of elastic, mechanical, vibrational and thermodynamic properties of cadmium dichalcogenides

    Article • Physica B Condensed Matter, January 2019, Elsevier

    Gboyega Augustine Adebayo

  36. First-principle survey of structural, electronic, and optical properties of zinc-blende BxAlyGa1-x-yN quaternary alloy

    Article • Materials Letters, June 2018, Elsevier

    Gboyega Augustine Adebayo, Paul Adebambo

  37. First-principles calculations of dynamical and thermodynamic properties of cuprite doped with silver (Cu2(1−x)Ag2xO)

    Article • Materials Research Express, April 2018, Institute of Physics Publishing

    Gboyega Augustine Adebayo

  38. Ab initio study of phonon dispersion and thermodynamic properties of pure and doped pyrites

    Article • Zeitschrift für Physik B Condensed Matter and Quanta, December 2017, Springer Science + Business Media

    Gboyega Augustine Adebayo

  39. Elastic constants and mechanical properties of PEDOT from first principles calculations

    Article • Computational Materials Science, November 2017, Elsevier

    Gboyega Augustine Adebayo, Paul Adebambo

  40. Elastic constants and observed ferromagnetism in inverse Heusler alloy Ti 2 CoAs using kjpaw pseudopotentials: A first-principles approach

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

    Gboyega Augustine Adebayo, Paul Adebambo

  41. Increased Malleability in Tetragonal Zrx Ti1−x O2 Ternary Alloys: First-Principles Approach

    Article • Zeitschrift für Naturforschung A, January 2017, De Gruyter

    Gboyega Augustine Adebayo, Paul Adebambo

  42. First-principles study of zinc-blende BxAlyIn1−x−yN quaternary alloy: Alchemical mixing approximation approach

    Article • International Journal of Modern Physics B, October 2016, World Scientific Pub Co Pte Lt

    Gboyega Augustine Adebayo, Paul Adebambo

  43. Prediction of metallic and half-metallic structure and elastic properties of

    Article • Physica B Condensed Matter, March 2016, Elsevier

    Gboyega Augustine Adebayo, Paul Adebambo

  44. Structural, Electronic, Magnetic and Optical Properties of Ni,Ti/Al-based Heusler Alloys: A First-Principles Approach

    Article • Zeitschrift für Naturforschung A, January 2016, De Gruyter

    Gboyega Augustine Adebayo, Paul Adebambo

  45. First principles study of electronic structure, structural and optical properties of Mg3Si2O5(OH)4

    Article • Applied Clay Science, May 2014, Elsevier

    Gboyega Augustine Adebayo

  46. Structural and elastic properties of strained Mg1−xSrxSe revealed

    Article • Solid State Communications, January 2014, Elsevier

    Gboyega Augustine Adebayo

  47. Ab initio calculations of optical properties of Li and K at high pressures

    Article • Journal of Physics and Chemistry of Solids, September 2013, Elsevier

    Gboyega Augustine Adebayo

  48. ELECTRONIC AND ELASTIC PROPERTIES OF ZINC-BLENDE MgSe

    Article • International Journal of Modern Physics B, April 2013, World Scientific Pub Co Pte Lt

    Gboyega Augustine Adebayo, Paul Adebambo

  49. Analysis and interpretation of Ibuji spring magnetic anomaly using the Mellin transform

    Article • Central European Journal of Geosciences, January 2013, De Gruyter

    Gboyega Augustine Adebayo

  50. First principles studies of band structure and electronic properties of ZnSe

    Article • Journal of Alloys and Compounds, February 2012, Elsevier

    Gboyega Augustine Adebayo, Paul Adebambo

  51. Adhesion energy, surface traction and surface tension in liquid xenon

    Article • Pramana, October 2011, Springer Science + Business Media

    Gboyega Augustine Adebayo

  52. ANTISYNCHRONIZATION OF IDENTICAL AND NONIDENTICAL Φ6 VAN DER POL AND Φ6 DUFFING OSCILLATORS WITH BOTH PARAMETRIC AND EXTERNAL EXCITATIONS VIA BACKSTEPPING APPROACH

    Article • International Journal of Modern Physics B, June 2011, World Scientific Pub Co Pte Lt

    Gboyega Augustine Adebayo

  53. Optical properties of revealed by ab initio calculations

    Article • Journal of Physics and Chemistry of Solids, December 2010, Elsevier

    Gboyega Augustine Adebayo

  54. Electronic structure and optical properties of from ab initio calculations

    Article • Physica B Condensed Matter, November 2010, Elsevier

    Gboyega Augustine Adebayo, Paul Adebambo

  55. Collision frequency of Lennard-Jones fluids at high densities by equilibrium molecular dynamics simulation

    Article • Pramana, September 2010, Springer Science + Business Media

    Gboyega Augustine Adebayo

  56. Generalized control and synchronization of chaos in RCL-shunted Josephson junction using backstepping design

    Article • Physica C Superconductivity, July 2010, Elsevier

    Gboyega Augustine Adebayo

  57. Mixing properties in the In–Pb and In–Mg liquid alloys

    Article • Physica B Condensed Matter, February 2010, Elsevier

    Gboyega Augustine Adebayo

  58. Thermodynamics and surface properties of liquid Al–Ga and Al–Ge alloys

    Article • Applied Physics A, October 2009, Springer Science + Business Media

    Gboyega Augustine Adebayo

  59. Infrared absorption of MgO at high pressures and temperatures: A molecular dynamic study

    Article • The Journal of Chemical Physics, July 2009, American Institute of Physics

    Gboyega Augustine Adebayo

  60. Adhesion Energy, Surface Traction and Surface Tension in Fe-Mg Binary Alloys

    Article • Zeitschrift für Naturforschung A, January 2007, De Gruyter

    Gboyega Augustine Adebayo

  61. Dynamical properties of Ag-Cu binary alloy from molecular dynamics simulation

    Article • Zeitschrift für Physik B Condensed Matter and Quanta, December 2006, Springer Science + Business Media

    Gboyega Augustine Adebayo

  62. Correlation between bulk and surface properties in Rb–Pb liquid alloy

    Article • Journal of Molecular Liquids, September 2006, Elsevier

    Gboyega Augustine Adebayo

  63. Structural properties of low-density liquid alkali metals

    Article • Pramana, December 2005, Springer Science + Business Media

    Akinlolu Akande, Gboyega Augustine Adebayo

  64. Influence of strong heterocoordination on surface properties of Li–Pb melts

    Article • Physics and Chemistry of Liquids, December 2005, Taylor & Francis

    Gboyega Augustine Adebayo

  65. Structure, dsingle-particle and many-particle coefficients of Lennard—Jones liquid Al

    Article • Pramana, August 2005, Springer Science + Business Media

    Gboyega Augustine Adebayo

  66. Quasi-chemical studies of ordering in the Cu–Zr and Cu–Si melts

    Article • Journal of Alloys and Compounds, November 2001, Elsevier

    Gboyega Augustine Adebayo

  67. Structural properties of undercooled liquid sodium and caesium

    Article • Pramana, June 1999, Springer Science + Business Media

    Gboyega Augustine Adebayo