Saba Niaz
University of Kashmir
12 Papers
8 Citations
Saba Niaz is an academic researcher from University of Kashmir. The author has contributed to research in topics: Hydrogen storage & Density functional theory. The author has an hindex of 5, co-authored 7 publications.
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Papers
Hydrogen storage: Materials, methods and perspectives
TL;DR: In this article, a review focusing on various hydrogen producing and storing methods that can be employed for creating a hydrogen economy is presented, where the latest advancements that have been made on different hydrogen storing materials and hydrogen storing technologies which have proven useful both on gravimetric and volumetric basis, have been highlighted.
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Computational studies on optoelectronic and charge transfer properties of some perylene‐based donor‐π‐acceptor systems for dye sensitized solar cell applications
TL;DR: In this paper, the effect of different π-bridges and various substituents on the perylene donor was evaluated in terms of opto-electronic and photovoltaic parameters such as HOMO-LUMO energy gap, λmax, light harvesting efficiency(LHE), electron injection efficiency (Oinject), excited state dye potential (Edye*)), reorganization energy(λ), and free energy of dye regeneration (ΔGdyeRegen).
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Theoretical investigations into spectral and non-linear optical properties of brucine and strychnine using density functional theory.
TL;DR: The density functional theoretical computations were performed at the B3LYP/6-311G++(d, p) level to calculate the equilibrium geometry, vibrational wave numbers, intensities, and various other molecular properties of brucine and strychnine, which were found in satisfactory agreement with the experimental data.
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Theoretical investigations on C2H4Nb complex as a potential hydrogen storage system, using moller–plesset (MP2) and density functional theory
TL;DR: In this article, second-order Moller-Plesset and density functional theory (DFT) methods using different exchange and correlation functionals are performed on C2H4Nb organometallic complex for its hydrogen storage capacity.
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