Search Results - "Murtaza, Hudabia"
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The screening of the potential features of potassium-based K2BGaI6 (B = Tl, Rb) double perovskites for eco-friendly technologies: a first-principles study
Published in Optical and quantum electronics (06-06-2024)“…Utilizing first-principles calculations, this study explores the physical characteristics of K 2 BGaI 6 (B = Tl, Rb) double perovskites with the objective of…”
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Investigations of the Structural, Mechanical and Optoelectronic Attributes of Rb2TlB′I6 (B′ = As, Ga) Double Perovskites for Photovoltaics
Published in Journal of inorganic and organometallic polymers and materials (2024)“…Double perovskites based on rubidium have demonstrated potential for obtaining high solar cell power conversion efficiencies. Their distinct crystal structure…”
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A DFT-based determination of the physical attributes of Cs2InBiF6 fluoroperovskite by using multiple potentials
Published in Optical and quantum electronics (24-08-2024)“…Cesium-based halide double perovskites have wide range of applications, and have emerged as a promising class of materials in the field of photovoltaic,…”
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A precise prediction for the hydrogen storage ability of perovskite XPH3 (X=Li, Na, K) hydrides: First-principles study
Published in International journal of hydrogen energy (11-12-2024)“…Hydrogen storage remains a significant barrier to creating a sustainable hydrogen economy, as many current materials fail to meet the high safety, efficiency,…”
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Exploring the optoelectronic attributes, thermoelectric and photocatalytic potential of double perovskites Cs2BB'H6 (B = Al, Na and B'=Tl, In): A DFT study
Published in Materials science & engineering. B, Solid-state materials for advanced technology (01-03-2024)“…•First-principles investigation of the structural, phonon, elastic, electronic, thermoelectric, optical and photocatalytic properties of double perovskites…”
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First-principles analysis to assess the solar water splitting and hydrogen storage capabilities of Cs2XGaH6 (X= Al, Na)
Published in International journal of hydrogen energy (19-09-2024)“…Hydrogen storage has gained popularity recently due to its advantages as an energy source. Research on hydrogen storage applications primarily focuses on…”
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First-principles analysis of the physical properties of XAcTe2 (X = Li, Na) Heusler alloys for optoelectronic and thermoelectric devices
Published in Computational materials science (01-05-2023)“…[Display omitted] •Investigation of the mechanical, optoelectronic and transport properties of new Heusler XAcTe2 (X = Li, Na) alloys is done by full-potential…”
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Unveiling the mechanical, structural, thermoelectric, and optoelectronic potential of K2NaGaBr6 and K2RbTlBr6 double perovskites for sustainable technologies
Published in Solar energy (01-05-2024)“…•The structural, elastic, phonon, electronic, transport and optical properties of K2NaGaBr6 and K2RbTlBr6 have been examined.•The stability of the investigated…”
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A comprehensive theoretical analysis of the physical attributes of cesium-based Cs2LiTlCl6 double perovskites for eco-friendly technologies
Published in Physica. B, Condensed matter (15-03-2024)“…Cesium-based double perovskites exhibit promising optoelectronic and thermoelectric potential, making them appropriate candidates for efficient and stable…”
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The physical attributes of rubidium-based Rb2TlRhF6 double perovskite halide: A first-principles investigation
Published in Physica. B, Condensed matter (15-07-2024)“…Rubidium cations (Rb+) significantly improve the overall performance of organic-inorganic hybrid perovskite based devices and have gained exceptional attention…”
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Effect of bandgap tunability on the physical attributes of potassium-based K2CuBiX6 (X = I, Br, Cl) double perovskites for green technologies
Published in Inorganic chemistry communications (01-04-2024)“…[Display omitted] •The structural, elastic, electronic, transport, and optical properties of lead-free double perovskites K2CuBiX6 (where X can be I, Br, or…”
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Tuning the thermoelectric and optoelectronic attributes of lead-free novel fluoroperovskites Cs2BB'F6 (B = Rb, In, Na and B'=Ir, As, Rh): A first-principles investigation
Published in The Journal of physics and chemistry of solids (01-07-2024)“…Cesium-based double perovskite materials have generated significant interest because of their fascinating prospects in various optoelectronic and…”
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Tuning the physical attributes of A-site double perovskites SrMInSbO 6 (M = Hf, Ca) for optoelectronics
Published in Physica scripta (01-10-2024)“…Abstract The extraordinary crystal structure and tunable characteristics of A-site double perovskite oxides make them noteworthy as A-site cations can be…”
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A computational approach to correlate the physical attributes of lead-free Rb2XRhF6 (X= Li, Ag) double perovskite halides for optoelectronics and renewable energy applications
Published in Physica. B, Condensed matter (15-12-2023)“…The potential of perovskite halides revolutionized the field of optoelectronics and energy conversion. In the present work, the physical characteristics of…”
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A DFT approach to explore the structural, optoelectronic, mechanical, and thermoelectric attributes of lead-free RbInX 3 (X = I, Br, Cl) halide perovskites for renewable energy applications
Published in Physica scripta (01-05-2024)“…Abstract Halide perovskites are significant due to their versatility and high performance in optoelectronics and green technologies. This paper thoroughly…”
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A Theoretical Insight into the Physical Characteristics of Double Perovskite Rb 2 TlInBr 6 for Renewable Energy Applications
Published in Crystal research and technology (1979) (01-03-2024)“…Abstract Metal halide perovskites have gained prominence in optoelectronics recently, thanks to their unique optical and electrical properties, along with…”
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Spin-polarized analysis of the magneto-electronic, mechanical and optical response of double perovskites Cs2XCeI6 (X=Li, Na): A DFT study
Published in Materials science in semiconductor processing (01-10-2024)“…Magnetic double perovskites have garnered significant interest due to their unique magnetic properties and are promising candidates for various spintronic…”
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