360 results on '"Goumri-Said, Souraya"'
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2. A comprehensive study on the electronic, optical, and light harvesting examination of mixed cation 2-Br-PEAI/FAPbI3 perovskite solar cells through first principles calculations and numerical simulations
3. Exploring Rashba spin-splitting and optoelectronic properties in lead-free 2D chiral hybrid perovskite (R-/S-/racemic-NEA)2SnI4 materials
4. Investigating the catalytic and antibacterial behavior of cesium-doped MoO3 nanostructures against methylene blue dye and MDR E. coli with DFT analysis
5. A Comparative analysis of the physical properties of predicted MAX phases V2SnN and V2SnB with the synthesized V2SnC: Insights from DFT calculations
6. Bifacial perovskite solar cells with >21 % efficiency: Computational insights into novel HTLs materials and architectures
7. Inorganic Zn2SnO4 electron transport layer in single-junction perovskite solar cells achieving highly efficient performance exceeding 32.85 %
8. Excitonic and optoelectronic investigations of bromide-chloride mixed vacancy-ordered double tellurium perovskite systems
9. A comprehensive review on the synthesis of ferrite nanomaterials via bottom-up and top-down approaches advantages, disadvantages, characterizations and computational insights
10. Comprehensive analysis of thermal, magnetic, and energy spectra in diatomic hydrides using Dirac equation solutions
11. Zintl germanides for thermoelectric applications: Insights from DFT and Boltzmann transport theory
12. Deciphering dimensional transition effects in Bi2Se3 and Bi2Te3 topological insulators
13. V2XT2 (X: C, N; T: O, F) MXenes; potential two-dimensional materials for spintronics, optoelectronics, and photovoltaic applications
14. Experimental and computational study of annealed nickel sulfide quantum dots for catalytic and antibacterial activity
15. Experimental and computational approach of zirconium and chitosan doped NiCo2O4 nanorods served as dye degrader and bactericidal action
16. Investigating solid solutions: Geometric transformations triggered by germanium incorporation in Cu2ZnGexSn1−xS4
17. Unraveling essential optoelectronic and thermoelectric excellence in CsZrCuSe3 with hybrid functional and Boltzmann transport insights
18. Theoretical investigations of Zr-concentration influence on the thermodynamic, elastic, electronic, and structural stability of D022/L12-Al3Ti
19. Catalytic degradation of methylene blue and bactericidal action by silver and CS-doped iron oxide nanostructures: Experimental and DFT approaches
20. Investigating electronic and optical properties of pyrochlore oxides Ta2A2O7 (A = Cd and Ge) for promising optoelectronic applications
21. Boosting efficiency and stability of perovskite solar cells via integrating engineered Li/Na-ferrite-based inorganic charge transport layers: a combined experimental and theoretical study
22. Theoretical investigation of the structural, electronic, optical, and elastic properties of the zinc blende SiGe1 − xSnx ternary alloy
23. Experimental synthesis of double perovskite functional nano-ceramic Eu2NiMnO6: Combining optical characterization and DFT calculations
24. Potential of low-cost inorganic CaFeO3 as transporting material for efficient perovskite solar cells
25. 1,4,9,9-tetramethyloctahydro-4,7-(epoxymethano)azulen-5(1H)-one, a natural product as a potential inhibitor of COVID-19: Extraction, crystal structure, and virtual screening approach
26. Lu doping nickel oxide thin films using sol-gel spin coated and density functional theory: optoelectronic and magnetic properties
27. Enhanced photocatalytic and antibacterial activity of TiO2 Quantum dots doped with Cerium/Chitosan for Environmental Remediation: Experimental and theoretical approaches
28. Core-Shell structures for the enhancement of energy harvesting in piezoelectric Nanogenerators: A review
29. Electronic band structure, mechanical and optical characteristics of new lead-free halide perovskites for solar cell applications based on DFT computation
30. First-principles calculations to investigate elastic anisotropy, lattice dynamic, and thermodynamic properties of Hf-W and Hf-Mo laves phase
31. Exploring low toxic and green propellants based on sodium borohydride
32. The removal of manganese ions from industrial wastewater using local Saudi and commercial bentonite clays
33. One-pot synthesis, X-ray crystal structure, and identification of potential molecules against COVID-19 main protease through structure-guided modeling and simulation approach
34. Optoelectronic and vibrational properties of chalcogenides VCu3Q4 (Q= Se, Te) for potential p-type transparent conducting materials: HSE06 approach
35. Electronic, magnetic and optical properties of Cr and Fe doped ZnS and CdS diluted magnetic semiconductors: revised study within TB-mBJ potential
36. Sensibility to chemical preparation method and thermal study of lithium zinc iodate mixture and prediction of structure, linear optical properties of αLiZn(IO3)3 polymorph from DFT
37. Optoelectronic features of NbCu3Q4 (Q = S, Se) for p-type transparent conducting application: DFT and HSE06
38. Metal-Free Peptide Semiconductor-Enhanced Raman Scattering.
39. Exploring the Multifunctional Properties of Tm‐Doped AlxGa1−xN Alloys: From Potoluminescence to Spintronics.
40. Machine Learning Models for Efficient Property Prediction of ABX3 Materials: A High-Throughput Approach.
41. First-principles investigations of thermoelectric properties of novel polytypes of Indium phosphide
42. h-BN nanosheets doped with transition metals for environmental remediation; a DFT approach and molecular docking analysis
43. Insights into the impact of Mn-doped inorganic CsPbBr3 perovskite on electronic structures and magnetism for photovoltaic application
44. Insights into the impact of metal tin substitution on methylammonium lead bromide perovskite performance for photovoltaic application
45. Directly grown of NiCo2S4 nanoparticles on a conducting substrate towards the high-performance counter electrode in dye-sensitized solar cell: A combined theoretical and experimental study
46. Device design optimization with interface engineering for highly efficient mixed cations and halides perovskite solar cells
47. Insight into electronic and optical properties of Eu+2-doped CaTiO3 from GGA+U calculations
48. Unraveling the influence of organic cations on tuning electronic structures and spin-splitting in two-dimensional layered organic–inorganic tin-iodine perovskites.
49. Exploring the electrical properties of pressboard and kraft paper insulation in power transformers: A dielectric spectroscopy and principal component analysis approach.
50. Experimental spectral characterization, Hirshfeld surface analysis, DFT/TD-DFT calculations and docking studies of (2Z,5Z)-5-(4-nitrobenzylidene)-3-N(2-methoxyphenyl)-2-N’(2-methoxyphenylimino) thiazolidin-4-one
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