240 results on '"Husain, Mudasser"'
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2. Exploring the Structural, Elastic and Optoelectronic Properties of Stable Sr2XSbO6 (X = Dy, La) Double Perovskites: Ab Initio Calculations
3. DFT Insights on the Future Prospects of Ba2PrXO6 (X = Ir, Pt) Double Perovskites for High-Energy Applications
4. Revealing the remarkable structural, electronic, elastic, and optical properties of Zn-based fluoropervskite ZnXF3 (x = Sr, Ba) employing DFT
5. First Principal Investigations to Explore the Half-metallicity, Structural, Mechanical, and Optoelectronic Properties of Sodium-Based Fluoroperovskites NaYF3 (Y = Sc and Ti) for Applications in Spintronics and Optoelectronics
6. Ab-initio investigation of AGeO3 (A = Mg, Cd) perovskites: structural, elastic, and optoelectronic properties
7. Density Functional Quantum Computations to Investigate the Physical Prospects of Lead-Free Chloro-Perovskites QAgCl3 (Q = K, Rb) for Optoelectronic Applications
8. Exploring Silicon-Based Ca2TiSiO6 Ordered Double Perovskite Oxides: a Comprehensive DFT Investigation of Structural, Dynamical, Mechanical Stability, and Optoelectronic Properties
9. Computational Analysis of Structural, Elastic, and Optoelectronic Properties of Silicon-Based XSiO3 (X = Sc and Y) Oxide Perovskite Compounds Employing the Density Functional Theory Approach
10. DFT study of structural, elastic and optoelectronic characteristics of novel Rb2CaSnX6 (X = Cl, I) double halide perovskites for optoelectronic applications
11. First-principles investigation of Cs2TlGaX6 (X = Cl, F) double perovskites: structural and dynamical stability, elastic properties, and optoelectronic characteristics for applications in semiconductor technology
12. Insight into the structural, elastic, optoelectronic, and thermodynamic properties of GaXF3 (X = Se, Si) via density functional theory
13. Screening the structural, dynamical, and mechanical stability, tuning band gaps, and optical properties of inorganic Cs2RbABr6 (A = Tl and Bi) double perovskites halide using DFT calculations
14. Insight into the physical properties of lead-free Chloroperovskites GaXCl3 (X = Be, Ca) compounds: probed by DFT
15. Modelling of structural, mechanical, electronic, and optical properties of Rb2TlXF6 (X = Ir, Rh) double perovskite compounds through density functional theory
16. First-principles calculations to investigate physical properties of oxide perovskites LaBO3 (B[dbnd]Mn, Fe) for thermo-spintronic devices
17. First principle study of structural and optoelectronic properties of ZnLiX3 (X = Cl or F) perovskites
18. Investigating structural, optoelectronic, and mechanical properties of novel Tungsten-based oxides double-perovskites compounds Sr2XWO6 (X= Mn, Fe): A DFT approach
19. Probing the physical properties of iron-rich olivine Fe2GeS4 and Fe2GeSe4 compounds: DFT calculations
20. Theoretical investigations of double perovskites Rb2YCuX6 (X =Cl, F) for green energy applications: DFT study
21. Exploring the structural, electronic and optical properties of Rb2InGaCl6 and Rb2InGaF6 double perovskite compounds for high-energy applications: a DFT-based investigation
22. Computational investigations of the structural, optoelectronic, and elastic properties of centrosymmetric ternary chloroperovskites QZnCl3 (Q = Li and Na) compounds for potential energy applications
23. Investigating the structural, elastic, and optoelectronic properties of LiXF3 (X = Cd, Hg) using the DFT approach for high-energy applications
24. Predicting structural, elastic, and optoelectronic properties of oxide perovskites HfXO3 (X =Be, Mg) employing the DFT approach
25. Tailoring the structural, elastic, electronic, and optical properties of Cs2ScCuX6 (X = Cl and F) double perovskite compounds via density functional theory (DFT)
26. First-principles calculations to investigate the structural, electronic, optical, mechanical, and thermodynamic properties of double perovskites Ba2WB′O6 (B′ = Co, Fe, Mn, Ni, and Zn)
27. Insight into the structural, elastic, and optoelectronic properties of XPaO3 (X = Cs, Rb) compounds employing density functional theory
28. Insight into the structural, elastic, phonon dispersions, and optoelectronic properties of Cs2YXCl6 (X = In, Tl) double perovskites for solar cells and energy conversion applications
29. Ab-initio investigation of structural, optoelectronic, and transport properties of metal-alkali-based binary chalcogenides, X2Te [X = Na, K, Rb]: Rb2Te a potential candidate for UV-shielding and thermoelectric devices
30. Exploring the properties of quaternary X2NaTlF6 (X = Cs, Rb) halide double perovskite materials for energy conversion, harvesting, and storage using density functional theory
31. Numerical simulation studies of the new quaternary MAX phase as future engineering applications: The case study of the Nb2ScAC2 (A = Al, Si) compounds
32. Insight into the structural, optoelectronic, and elastic properties of AuXF3 (X = Ca, Sr) fluoroperovskites: DFT study
33. Structure phase-induced photodegradation properties of cobalt-sulfur co-doped TiO2 nanoparticles synthesized by hydrothermal route
34. First-principles calculations to investigate structural, elastic, electronic, and optical properties of XSrCl3 (X = Li, Na)
35. The comparative investigations of structural, optoelectronic, and mechanical properties of AgBeX3 (X = F and Cl) metal halide-perovskites for prospective energy applications utilizing DFT approach
36. Insight into the physical properties of beryllium-based ternary centro-symmetric fluoroperovskites BeXF3 (X = Bi, Y, Al, Sc, and In) compounds using the first-principle approach
37. Utilizing density functional theory (DFT) approach for predicting the optoelectronic, structural, and magnetic properties of the spin-polarized scintillating bromo-elpasolite Cs2LiCeBr6
38. First-principles calculations to investigate structural, elastic and thermodynamic properties of new M2ScSnC2 (M=V or Nb) quaternary compounds for 312 MAX phases
39. Predicting structural, optoelectronic and mechanical properties of germanium based AGeF3 (A = Ga and In) halides perovskites using the DFT computational approach
40. Insight into the structural, mechanical, electronic and optical properties of X2CuAsF6 (X = Na, K) double perovskites for high energy applications employing DFT
41. First-principles calculations to investigate structural, electronic, optical, and magnetic properties of a scintillating double perovskite halide (Cs2LiCeCl6)
42. First-principles calculations to investigate structural, elastic, optical, and thermoelectric properties of narrow band gap semiconducting cubic ternary fluoroperovskites barium based BaMF3 (M = Ag and Cu) compounds
43. Exploring Novel Ba2MBiO6 (M = Sm, Tb) Oxide Double Perovskites Employing DFT.
44. Exploring the Structural, Elastic and Optoelectronic Properties of Stable Sr2XSbO6 (X = Dy, La) Double Perovskites: Ab Initio Calculations.
45. Ab-initio investigation of AGeO3 (A = Mg, Cd) perovskites: structural, elastic, and optoelectronic properties.
46. Modeling structural, elastic, electronic and optical properties of ternary cubic barium based fluoroperovskites MBaF3 (M = Ga and In) compounds based on DFT
47. First-principles structural, elastic and optoelectronics study of sodium niobate and tantalate perovskites
48. Insight into metallic oxide semiconductor (SnO2, ZnO, CuO, α-Fe2O3, WO3)-carbon nitride (g-C3N4) heterojunction for gas sensing application
49. Revealing the remarkable structural, electronic, elastic, and optical properties of Zn-based fluoropervskite ZnXF3 (x = Sr, Ba) employing DFT.
50. Impact of samarium on magnetic and optoelectronic properties of magnesium-based MgSm2X4 (X = S and Se) spinels for spintronics.
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