Search Results - "Waheed, Hafiza Sumaira"
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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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Electronic, optical, and thermoelectric investigations of Zintl phase AAg2Se2 (A=Sr, Ba) compounds: A first-principle approach
Published in Journal of solid state chemistry (01-08-2022)“…We have studied the structural, optoelectronic, and thermoelectric properties of AAg2Se2 (A = Sr, Ba) compounds using first-principles calculations. We found…”
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Enhanced Device Absorption Efficiency and Photocatalytic Response of Monolayer PtX 2 (X = S, Se, Te) for Photocatalysis and Solar Cell Applications
Published in physica status solidi (b) (01-07-2023)“…Using density functional theory, the electronic and optical properties of monolayer platinum dichalcogenides (PtX 2 ) are calculated. It is observed that PtS 2…”
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Enhanced Device Absorption Efficiency and Photocatalytic Response of Monolayer PtX2 (X = S, Se, Te) for Photocatalysis and Solar Cell Applications
Published in physica status solidi (b) (01-07-2023)“…Using density functional theory, the electronic and optical properties of monolayer platinum dichalcogenides (PtX2) are calculated. It is observed that PtS2,…”
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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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Optoelectronic and photocatalytic properties of Mo-based Janus monolayers for solar cell applications
Published in Optik (Stuttgart) (01-12-2022)“…The structural, and optoelectronic properties of Mo-based Janus monolayers have been investigated using the first-principles calculations. All the Mo-based…”
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Optoelectronics properties of Janus SnSSe monolayer for solar cells applications
Published in Physica. B, Condensed matter (15-01-2022)“…Highly demanding efficiency, scaling and cost led the researchers to predict and synthesize two-dimensional transition metal dichalcogenides for advanced…”
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Exploring the properties of quaternary X2NaTlF6 (X = Cs, Rb) halide double perovskite materials for energy conversion, harvesting, and storage using density functional theory
Published in Optical and quantum electronics (2024)“…Double perovskites (DPs) have attracted considerable attention for their potential in optoelectronic and thermoelectric applications. In this study, we utilize…”
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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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Formation of an MoTe2 based Schottky junction employing ultra-low and high resistive metal contacts
Published in RSC advances (01-01-2019)“…Schottky-barrier diodes have great importance in power management and mobile communication because of their informal device technology, fast response and small…”
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Electro-optic and thermoelectric reponse of SiP and SiAs for solar and thermal applications
Published in Physica scripta (01-04-2024)“…Abstract Based on first-principles calculations, we investigated the electro-optic and thermoelectric properties of SiX (X = P, As). We find that the SiP…”
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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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Formation of an MoTe 2 based Schottky junction employing ultra-low and high resistive metal contacts
Published in RSC advances (29-03-2019)“…Schottky-barrier diodes have great importance in power management and mobile communication because of their informal device technology, fast response and small…”
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Formation of an MoTe2 based Schottky junction employing ultra-low and high resistive metal contactsElectronic supplementary information (ESI) available. See DOI: 10.1039/c8ra09656b
Published 29-03-2019“…Schottky-barrier diodes have great importance in power management and mobile communication because of their informal device technology, fast response and small…”
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