122 results on '"Gregório, H."'
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2. Self-energy corrected band-gap tuning induced by strain in the hexagonal boron phosphide monolayer
3. Modeling the manganese deposit on the BP (111)-(2×2) surface: Density functional theory studies
4. Doping effects in the alanine-black phosphorene interactions: First principles studies
5. Feature-rich electronic and magnetic properties in silicene monolayer induced by nitrogenation: A first-principles study
6. Chemical functionalization of low-buckled SiGe monolayer: Effects on the electronic and magnetic properties
7. Defective and doped MgO monolayer as promising 2D materials for optoelectronic and spintronic applications
8. Transport properties of blue phosphorene nanoribbons in the presence of pollutant molecules
9. Modeling the cobalt deposit on the AlN (0001)-(2 × 2) surface: Density functional theory studies
10. First-principles calculations to investigate Structural, electronic, and optical properties of MgF2 monolayer in 1T-phase and 2H-phase using hybrid functional
11. First principles prediction of the stable MgFCl Janus monolayer with tunable properties
12. Structural and Magnetic Phase Transitions in Chromium Nitride Thin Films Grown by RF Nitrogen Plasma Molecular Beam Epitaxy
13. Self-energy corrected band-gap tuning induced by strain in the hexagonal boron phosphide monolayer
14. Antiferromagnetic coupling in the initial stages of the MnN epitaxial growth on the CrN (0 0 1) surface
15. Developing feature-rich electronic and magnetic properties in the [formula omitted]-As monolayer for spintronic and optoelectronic applications by C and Si doping: A first-principles study
16. Engineering the electronic and magnetic properties of nitrogene monolayer and bilayer by doping: A first-principles study
17. Modeling the half-metallicity of the CrN/GaN (1 1 1) heterostructure
18. Point-of-care Vis-SWNIR spectroscopy towards reagent-less hemogram analysis
19. Theoretical prediction of the PtOX (X = S and Se) monolayers as promising optoelectronic and thermoelectric 2D materials
20. Opening the germanene monolayer band gap using halogen atoms: An efficient approach studied by first-principles calculations
21. Adsorption of small pollutant molecules on monolayer blue phosphorus
22. Theoretical analysis of the HfS[formula omitted] monolayer electronic structure and optical properties under vertical strain effects
23. Mn5Ge3 ultra-thin films on GaAs (111)B substrates: Influence of initial growth conditions
24. Theoretical investigation of the AlN (0 0 0 1)-(2 × 2) surface doped with nickel: Structural, electronic and magnetic properties
25. New equiatomic quaternary Heusler compounds without transition metals KCaBX (X = S and Se): Robust half-metallicity and optical properties
26. LiCl monolayer for UV detection: First principles prediction
27. Structural, electronic and optical properties of CdO monolayer and bilayers: Stacking effect investigations
28. P-substitution effects on the electronic structure and thermal properties of the half-metallic half-Heusler NaCrBi compound
29. Electronic, optical and thermoelectric properties of CaO mono- and bi-layers: Theoretical comparative investigation
30. A comprehensive investigation on electronic structure, optical and thermoelectric properties of the HfSSe Janus monolayer
31. First principles insight into the structural, electronic, optical and thermodynamic properties of CsPb2Br5 compound
32. Electronic structure, optical and thermoelectric properties of cadmium chalcogenides monolayers
33. An assessment of the structural, electronic, optical and thermoelectric properties of the BaAg2GeS4 compound
34. Half-metal effect on the MnAs/InP (0 0 1)-(2 × 4) interface
35. Half-metallicity and magnetism in BAs monolayer induced by anchoring 3d transition metals (TM = V, Cr and Mn)
36. Examining the uniform strain effect on elastic, electronic and optical properties of CsPbCl3 through FP-LAPW calculations
37. On the structural, electronic, optical and thermoelectric properties of CdIn2Se4 ordered-vacancy compound
38. Reducing the electronic band gap of BN monolayer by coexistence of P(As)-doping and external electric field
39. Transition from indirect to direct band gap in SiC monolayer by chemical functionalization: A first principles study
40. Biaxial strain and external electric field effects on the electronic structure of hydrogenated GaN monolayer
41. Computational investigation of the structural, electronic, optical and thermoelectric properties of T2-Al2MgC2 compound
42. Initial stages of the epitaxial growth of MnN on the GaAs (001)-(2 × 2) surface: First-principle study
43. Initial stages of the epitaxial growth of AlN on GaN (1 1 1)-(2 × 2) surface: Ab-initio studies
44. Chromium nanostructure formation on the GaAs(1 1 1)–(2 × 2) surface: First principles studies
45. Structural, electronic, and magnetic properties of the CrN (0 0 1) surface: First-principles studies
46. Physiological and metabolic responses in newborn piglets associated with the birth order
47. Structural, electronic and magnetic properties of the MnGa(111)-1 × 2 and 2 × 2 reconstructions: Spin polarized first principles total energy calculations
48. Trapping and diffusion of organic dyes inside of palygorskite clay: The ancient Maya Blue pigment
49. Evaluation of the protective effect of thiamine pyrophosphate based on the biochemical analysis of rabbit foetuses at 30 days of gestation
50. Surface modes coupling in one-dimensional metamaterial photonic crystals with defects
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