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Publications (20)
- Ab initio study of structural, electronic, magnetic, optical, mechanical and thermodynamic properties of Fe2XGe (X = Zr, Nb, Mo) full Heusler alloys Save
- Multifunctional properties of Mn-Fe-Ni A-Site alloyed titanate perovskites for energy-harvesting applications: a first-principles study Save
- Visible-light-driven photocatalytic water splitting in double perovskite halides Cs2 TlInX6 (X = Cl, Br, I): a first-principles study Save
- A DFT Study on the Structural, Electronic, Optical, and Mechanical Properties of Lead-Free Perovskites $$\hbox {Rb}_2$$ $$\hbox {YAuX}_6$$ (X = F, Cl, Br, I) for Solar Cell Applications Save
- Ab initio study of structural, electronic, magnetic, optical, mechanical and thermodynamic properties of Fe2XGe (X = Zr, Nb, Mo) full Heusler alloys Save
- A DFT insight of the electronic, optical, elastic, and thermoelectric properties of OsPn$$_2$$ (Pn = P, As) Save
- A systematic investigation of Li- and Na-based perovskite hydrides as potential hydrogen storage materials Save
- Modulation of electronic and piezoelectric properties of lead-free halide perovskites LiSnX3 (X = Cl, Br, and I) under applied pressure Save
- Hydrogen storage in bulk and surface slab of Li-based perovskite hydrides LiBH3 (B = Be, Mg, Ca): A hybrid-DFT study Save
- Exploring the structural, optoelectronic, mechanical and thermoelectric properties of double halide perovskites Cs$$_2$$ScInX$$_6$$ (X=Cl, Br, I) for green energy generators: a first principles study Save