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Publications (103)
- Halogen-engineered bandgap modulation in lead-free Li2TlGaZ6 (Z = Cl, I) double perovskites for advanced optoelectronics: A first-principles study Save
- Promising optoelectronic characteristics of lead-free Rb2AuInX6 (X = F, Cl, Br) double perovskites: Insights from DFT and machine learning Save
- Halogen-dependent optical response, band-edge alignment, and thermoelectric tunability in AlMgZ3 (Z = Cl, Br, I) cubic perovskites for photocatalytic water splitting and renewable energy applications: A first-principles investigation Save
- Machine learning assisted design and DFT screening lead-free cubic perovskites ACdI3 (A = Na, K, Rb) for advanced thermoelectric performance Save
- Machine learning-driven prediction of halogen-tuned multifunctional properties in CsBX3 halide perovskites Save
- DFT insights into Rb2ZAsI6 (Z = K, Cs) halide double perovskites as promising candidates for next-generation energy storage Save
- Ab initio insights into the physical properties of cubic CeFeO3 perovskite Save
- Energy harvesting potential of LiHfIrZ (Z = Si, Ge) quaternary Heusler alloys: a first-principles computational study Save
- Computational prediction analysis on physical attributes of rare earth-based Rb2REAgCl6 (RE=La, Lu) Save
- High‐Performance Double Perovskites of A2MgGeI6 (A = K, Rb) Structural, Electronic, Mechanical, Thermodynamic and Thermoelectric Aspects for Next‐Generation Renewable Energy Devices Save