204 results on '"Alarfaji, Saleh S."'
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2. Adsorption performance of harmful gas molecules over copper decorated aluminene: a DFT study
3. Exploring the impact of heterocyclic bridges for tuning the amplitudes of Nonlinear optical properties under Gas, IEFPCM and COSMO solvent models
4. MXene nanomaterials: Synthesis, properties and applications in energy and environment sector
5. Computational study of pure and Lithium decorated bismuthene for detection of VOCs
6. Computational exploration of high-capacity hydrogen storage in alkali metal-decorated MgB2 material
7. Evaluating metal-free pyrene-centered donor dye via terminal group to enhance PCE of organic solar cells: A DFT approach
8. Adsorption behavior of dissolved gas molecules in transformer oil on pure and Li/Ag modified borophene monolayer
9. Insights into bismuthene and antimonene as cisplatin drug carriers: A theoretical comparative investigation
10. Computational study of Be/Mg-decorated hexagonal chromium ditelluride (CrTe2) for hydrogen storage applications
11. A comparative DFT study of borophene as a promising drug delivery vehicle for carmustine and nitrosourea anti-cancer drugs
12. Magnetic splitting induced ferromagnetism in chromium-doped HfSe2
13. Two-dimensional MXene based innovative electrode materials for supercapacitors: Recent advances and prospects
14. Computational analysis of C9N4 monolayer as a novel adsorbent for toxic gases
15. Quantum chemical framework for designing high-performance ladder-shape NLO molecules and study of implicit vs explicit solvent effects on their NLO properties
16. Theoretical design of alkaline earthides M+(36 adz) Be− (M+ = V, Cr, Mn, Fe, Co, Ni, Cu, and Zn) with excellent nonlinear optical response and ultraviolet transparency
17. Dual experimental and computational approach for study of optical and nonlinear optical properties of naphthalimide derivatives
18. Investigating the dilute magnetic semiconductor behavior of 4d transition metal adsorption on B4C3
19. Computational study of Fe- and Mn-decocted hexagonal boron nitride for hydrogen storage applications
20. Extrinsic n-type semiconductor transition in ZrSe2 with the metallic character through hafnium substitution
21. Designing the electron push-pull chromophores through the joining of triphenylamine and triphenylborane for efficient nonlinear optical and photovoltaic properties
22. Empowering spintronics performance of 3d transition metal adsorbed B4C3 monolayer: A DFT outlook
23. Double transition-metal MXenes: Classification, properties, machine learning, artificial intelligence, and energy storage applications
24. Mxenes for Zn-based energy storage devices: Nano-engineering and machine learning
25. Recent trends in wastewater treatment by using metal-organic frameworks (MOFs) and their composites: A critical view-point
26. Solar energy storage to chemical: Photocatalytic CO2 reduction over pristine metal-organic frameworks with mechanistic studies
27. A computational study for optical and nonlinear optical properties of distinctive V-shaped cyclopenta dithiophene derivatives
28. Adsorption of 4D and 5D transition metals on antimonene for optoelectronics and spintronics applications
29. Unrivalled insight into potential biopharmaceutical application of Allardia tridactylites (Kar. & Kir.) Sch. Bip.: Chemodiversity, in vitro bioactivities and computational analysis
30. Adsorption of industry affiliated gases on buckled aluminene for gas sensing applications
31. Extrinsic n-type semiconductor transition in ZrSe2 with the metallic character through hafnium substitution
32. Solvent effect, dipole moment, and DFT studies of multi donor–acceptor type pyridine derivative
33. Investigation of the structural, mechanical, optoelectronic and, thermoelectric characteristics of cubic GeTiO3: An ab initio study
34. Insighting isatin derivatives as potential antiviral agents against NSP3 of COVID-19
35. In vitro and in silico bioactivities and chemical profiling of Nepeta leucolaena to validate its use in nutraceutical or biopharmaceutical applications
36. Structural, electronic, optical, and thermoelectric response of zintl phase AAg2S2 (A= Sr/Ba) compounds for renewable energy applications
37. Exploring the structural, electronic, optical, and thermoelectric properties of potassium-based double perovskites K2AgXI6 (X = Sb, Bi) compounds: A DFT study
38. In vitro antioxidant and enzyme inhibitory studies, computational analysis and chemodiversity of an emergency food plant Caralluma edulis (Edgew.) Benth. ex Hook.f: A multifunctional approach to provide new ingredients for nutraceuticals and functional foods
39. Electroless platinum and palladium deposition over alumina coated stainless steel plates and their catalytic activity for hydrogen mitigation in severe nuclear accidents
40. Removal of Eosin dye from simulated media onto lemon peel-based low cost biosorbent
41. Exploring the inhibitory potential of novel bioactive compounds from mangrove actinomycetes against nsp10 the major activator of SARS-CoV-2 replication
42. Insighting the functionally modified C60 fullerenes as an efficient nonlinear optical materials: A quantum chemical study
43. Electronic structure investigation and anisotropic phonon anharmonicity in ternary ZrGeTe4 single crystals.
44. Study of structural, optoelectronic and magnetic properties of Half-Heusler compounds QEuPa (Q= Ba, be, Mg, Sr) using first-principles method
45. Adsorption performance of harmful gas molecules over copper decorated aluminene: A DFT study
46. Evaluating metal-free pyrene-centered donor dye via terminal group to enhance PCE of organic solar cells: A DFT approach
47. A correlational study: Establishing the link between quantum parameters and particle dynamics around Schwarzschild black hole
48. Pristine and aurum-decorated tungsten ditellurides as sensing materials for VOCs detection in exhaled human breath: DFT analysis.
49. ZIF‐8 Composites for the Removal of Wastewater Pollutants.
50. Syntheses and crystal structures of lutetium(III) and dysprosium(III) coordination polymers with 2,5-dihydroxybenzene-1,4-dicarboxylate anion: Magnetic and photoluminescent properties of the dysprosium complex
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