Search Results - "Asghar, Mazia"
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Enhanced the performance of zinc strontium sulfide-based supercapattery device with the polyaniline doped activated carbon
Published in Journal of solid state electrochemistry (2023)“…A hybrid supercapacitor, also known as a supercapattery, combines the high power density of supercapacitors with the high energy density of batteries. In this…”
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A computational insight of the lead‐free double perovskites Rb2AgSbCl6 and Rb2AgSbBr6 for optoelectronic and thermoelectric applications
Published in International journal of energy research (01-12-2022)“…Summary Based on first‐principles calculations, we have computed the optoelectronics and thermoelectric properties of double Perovskite halides Rb2AgSbX6…”
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3
Electronic Structure and Magnetic Anisotropy Response of Janus Monolayer VSeTe
Published in physica status solidi (b) (01-12-2023)“…Herein, the electronic and magnetic properties of the 2D Janus monolayer VSeTe are computed based on first‐principles calculations. The structure stability…”
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Mechanical, Magnetic, and Optical Characteristics of Tm‐Based Chalcogenides for Energy‐Harvesting Applications
Published in physica status solidi (b) (01-12-2023)“…Herein, a comprehensive theoretical analysis of Tm‐based chalcogenides MgTm2Y4 (Y = S, Se) is performed to understand magnetic, optical, mechanical, and…”
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Janus MoSO and MoSSe Monolayers: A Promising Material for Solar Cells and Photocatalytic Applications
Published in physica status solidi (b) (01-01-2023)“…The optoelectronic properties and device absorption efficiencies of MoSO and MoSSe Janus monolayer have been investigated using the first‐principles…”
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Investigating structural, electronic, magnetic, and optical properties of Co-doped and Co-X (X = Fe, Mn) co-doped MoS2 for optoelectronic applications
Published in Journal of molecular modeling (01-10-2022)“…We employ first-principle calculations to investigate structural, electronic, magnetic, and optical properties of cobalt and Co-X (X = Fe, Mn) co-doped MoS 2 …”
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Optoelectronic and thermoelectric response of lead free halide double perovskites Rb2AgPX6 (X = Cl, Br, I) for energy storage applications
Published in Optical and quantum electronics (19-05-2024)“…In this study, we have thoroughly examined the electro-optics and thermal properties of Rb 2 AgPX 6 (X = Cl, Br, I), using ab-initio simulations. We find the…”
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Computational Insight into the Physical Properties of Bulk MP (M = Li, Na, K) for Energy Applications
Published in ACS omega (28-05-2024)“…In this study, we applied density functional theory to compute the electronic, optical, and thermal properties of MP (M = Li, Na, K). We find that the…”
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Exploring the Structural Stability, Electronic and Thermal Attributes of synthetic 2D Materials and their Heterostructures
Published 26-01-2022“…Appl. Surf. Sci. 590, 153131, (2022) Based on first-principles calculations, we have investigated the structural stability, electronic structures, and thermal…”
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DFT insights on the opto-electronic and thermoelectric properties of double perovskites K2AgSbX6 (X = Cl, Br) via halides substitutions for solar cell applications
Published in Materials science & engineering. B, Solid-state materials for advanced technology (01-04-2023)“…•Physical characteristics of double pérovskites K2AgSbX6 (X = Cl, Br) are investigated by the DFT method.•The compounds are indirect band gap…”
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Exploring the structural stability, electronic and thermal attributes of synthetic 2D materials and their heterostructures
Published in Applied surface science (15-07-2022)“…[Display omitted] •Structural stability reveals that heterostructures are experimentally realizable.•The electronic properties can be tuned by selecting the…”
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Tuning of the bandgap of Rb2ScAgX6 (X = Cl, Br, I) double perovskites through halide ion replacement for solar cell applications
Published in Materials science in semiconductor processing (01-09-2022)“…Double perovskite halides are a potential candidate for the applications of the solar cell, photovoltaic and thermoelectric, due to their non-toxicity and…”
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Doping-dependent optoelectronic, and magnetic properties of monolayer SnS
Published in Materials science in semiconductor processing (01-12-2022)“…Based on the first-principles calculations, we examine the effects of In/Sb/P doping on the structure, electronics, and magnetic properties of monolayer SnS…”
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Tuning the optoelectronic and thermoelectric characteristics of narrow bandgap Rb2AlInX6(X= Cl, Br, I) double perovskites: A DFT study
Published in Materials science in semiconductor processing (01-06-2022)“…In this paper, the structural, optoelectronic, and thermoelectric characteristics of halide-based double perovskite Rb2AlInX6 (Cl, Br, I)compounds are examined…”
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A DFT investigation of mechanical, optical and thermoelectric properties of double perovskites K2AgAsX6 (X = Cl, Br) halides
Published in Materials science & engineering. B, Solid-state materials for advanced technology (01-09-2023)“…•The optoelectronic and thermoelectric properties of double perovskites K2AgAsX6 (X = Cl, Br) halides computed by FP-LAPW method and BoltzTrap code.•Electronic…”
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First-principles calculations to investigate structural, electronic, optical and thermoelectric properties of novel double perovskite Cs2CeAgX6 (X = Cl, Br) for optoelectronic and thermoelectric applications
Published in Chemical physics (01-11-2023)“…The present study unveils physical characteristics, including elastic parameters, phonon dispersion, electronics, optical, and thermoelectrics behavior’s novel…”
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Analysis of ternary AlGaX2(X = As, Sb) compounds for opto-electronic and renewable energy devices using density functional theory
Published in Physica scripta (01-12-2021)Get full text
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A computational approach to study the halides-based double perovskites Cs2InAuX6 (X=Cl, Br) for low-cost energy technologies
Published in Physica. B, Condensed matter (01-06-2024)“…Using the computer-based simulations in the framework of WIEN2K, we have investigated the structure, optoelectronic, and thermoelectric properties of lead-free…”
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Ab-initio study of half-metallic ferromagnetism and transport characteristics of MgV 2 S/Se 4 spinels for spintronics and thermoelectric applications
Published in Physica scripta (01-08-2022)“…Abstract Understanding ferromagnetism and thermoelectric behavior are crucial in spintronics and thermoelectric device applications. Using density functional…”
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Opto-electronic, and thermoelectric properties of chalcopyrite compounds HgGa 2 X 4 (X = S, Se) for solar cell applications
Published in Physica scripta (01-06-2022)“…Abstract The ab-initio method has been applied to explore the chalcopyrite compounds HgGa 2 X 4 (X = S, Se) structural, optoelectronics, and thermoelectric…”
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