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Physical properties of vacancy-ordered double perovskites K2TcZ6 (Z = Cl, Br) for spintronics applications: DFT calculations

RSC advances, 2024-01, Vol.14 (3), p.1822-1832

2024

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DFT insights into LaFeO3 with Mn substitution: A promising path to energy‐efficient magneto‐optical applications

Journal of computational chemistry, 2024-05, Vol.45 (12), p.843-854

2024

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Repercussion of pressure on thermodynamic, optoelectronic, thermoelectric and magneto-elastic rectitude of cubic LaFeO3: Quantum DFT perspective

Journal of alloys and compounds, 2020-08, Vol.831, p.154600, Article 154600

2020

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Structural, elastic, mechanical, electronic, and magnetic properties of In2NbX6 (X = Cl, Br) variant perovskites

International journal of quantum chemistry, 2024-01, Vol.124 (1), p.n/a

2024

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Pressure‐Induced Effects on BaPbO3: A Prospectively Valuable Material for Piezoelectric Applications via DFT

Crystal research and technology (1979), 2024-06, Vol.59 (6), p.n/a

2024

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Opto-electronic and thermoelectric properties of double perovskites Li2CuGaX6 (X = Cl, Br, I) for energy conversion applications: DFT calculations

Journal of materials research, 2024-04, Vol.39 (8), p.1207-1216

2024

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Orthorhombic structure and optoelectronic properties of 3d transition metal diantimonides TMSb2 (TM2+ = V, Cr, Fe)

Physics open, 2024-05, Vol.19, p.100213, Article 100213

2024

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Efficiency Improvement of Lead‐Free La2NiMnO6‐Based Double Perovskite Solar Cells Using Numerical Simulation

Energy technology (Weinheim, Germany), 2024-05, Vol.12 (5), p.n/a

2024

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Molecular Design of Novel Chemicals for Iron Sulfide Scale Removal

Journal of chemistry, 2021-02, Vol.2021, p.1-11

2021

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Structural, magnetic, electronic and optical properties of cubic rare-earth vanadate perovskites PrVO3 and NdVO3: insights from GGA potentials

Indian journal of physics, 2022-08, Vol.96 (10), p.2731-2745

2022

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Consequences of Tuning Rare-Earth RE3+-Site and Exchange–Correlation Energy U on the Optoelectronic, Mechanical, and Thermoelectronic Properties of Cubic Manganite Perovskites REMnO3 for Spintronics and Optoelectronics Applications

ACS omega, 2022-08, Vol.7 (32), p.27903-27917

2022

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Electronic band structure and optoelectronic properties of double perovskite Sr2MgMoO6 through modified Becke-Johnson potential

Materials science in semiconductor processing, 2016-08, Vol.50, p.14-19

2016

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First-Principles Calculations of Novel Lead-Free X2GeSnI6 (X = Rb, Cs) Double Perovskite Compounds for Optoelectronic and Energy Exploitations

Journal of inorganic and organometallic polymers and materials, 2024-04, Vol.34 (4), p.1609-1619

2024

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A Comprehensive GGA Investigation on the Structural, Elastic, Electronic, and Magnetic Properties of Vanadium-Based Half-Heusler XVZ (X = Cr, Mn, Fe; Z = Sn, Sb) Compounds

Journal of electronic materials, 2023-07, Vol.52 (7), p.4738-4755

2023

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Optimizing Lead-Free Chalcogenide Perovskite Solar Cells: A Path to High Efficiency and Stability for Renewable Energy Conversion

Energy & fuels, 2024-02, Vol.38 (4), p.3275-3287

2024

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Impact of 3d-transition metal [T = Sc, Ti, V, Cr, Mn, Fe, Co] on praseodymium perovskites PrTO3: standard spin-polarized GGA and GGA+U investigations

Bulletin of materials science, 2022-06, Vol.45 (2), p.69, Article 69

Saad H-E, M Musa

2022

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Electronic, magnetic, and optical characteristics of half-semiconductor double perovskite oxide Sr2CrOsO6 governed by 3d (t2g3)–5d (t2g3) antiferromagnetic coupling

The Journal of physics and chemistry of solids, 2016-07, Vol.94, p.1-11

H.-E., M. Musa Saad

2016

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First principle insight on optoelectronic and transport characteristics of lead-free inorganic double perovskites Rb2KTlX6 (X = Cl, Br) for solar cell applications

Solid state communications, 2024-01, Vol.377, p.115382, Article 115382

2024

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Optoelectronic and thermoelectronic properties of 3d, 4d, and 5d based semiconductor half-Heuslers (Ni/Pd/Pt)ScSb with narrow bandgap

Computational Condensed Matter, 2023-09, Vol.36, p.e00831, Article e00831

2023

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Impact of social media on Working Memory and Academic Performance of Undergraduate Students- A Cross-sectional Study

European psychiatry, 2024-08, Vol.67 (S1), p.S163-S164

2024

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Mechanical, optoelectronic and thermoelectronic properties of double perovskites halides Rb2TCl6 [T = V, Cr, Mn] for optoelectronics and thermoelectronic applications

The Journal of physics and chemistry of solids, 2024-11, Vol.194, p.112246, Article 112246

2024

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DFT insights into LaFeO 3 with Mn substitution: A promising path to energy-efficient magneto-optical applications

Journal of computational chemistry, 2024-05, Vol.45 (12), p.843-854

2024

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Computational insights into the structural, electronic, and optoelectronic properties of Sr2MgXO6 (X = S, Se) double perovskites: promising candidates for photovoltaic and optoelectronic applications

Structural chemistry, 2024-09

2024

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Physical properties of vacancy-ordered double perovskites K 2 TcZ 6 (Z = Cl, Br) for spintronics applications: DFT calculations

RSC advances, 2024-01, Vol.14 (3), p.1822-1832

2024

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Pyrite Scale Removal Using Green Formulations for Oil and Gas Applications: Reaction Kinetics

Energy & fuels, 2019-05, Vol.33 (5), p.4499-4505

2019

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Physical properties of vacancy-ordered double perovskites K2TcZ6 (Z = Cl, Br) for spintronics applications: DFT calculations

DFT insights into LaFeO3 with Mn substitution: A promising path to energy‐efficient magneto‐optical applications

Repercussion of pressure on thermodynamic, optoelectronic, thermoelectric and magneto-elastic rectitude of cubic LaFeO3: Quantum DFT perspective

Structural, elastic, mechanical, electronic, and magnetic properties of In2NbX6 (X = Cl, Br) variant perovskites

Pressure‐Induced Effects on BaPbO3: A Prospectively Valuable Material for Piezoelectric Applications via DFT

Opto-electronic and thermoelectric properties of double perovskites Li2CuGaX6 (X = Cl, Br, I) for energy conversion applications: DFT calculations

Orthorhombic structure and optoelectronic properties of 3d transition metal diantimonides TMSb2 (TM2+ = V, Cr, Fe)

Efficiency Improvement of Lead‐Free La2NiMnO6‐Based Double Perovskite Solar Cells Using Numerical Simulation

Molecular Design of Novel Chemicals for Iron Sulfide Scale Removal

Structural, magnetic, electronic and optical properties of cubic rare-earth vanadate perovskites PrVO3 and NdVO3: insights from GGA potentials

Consequences of Tuning Rare-Earth RE3+-Site and Exchange–Correlation Energy U on the Optoelectronic, Mechanical, and Thermoelectronic Properties of Cubic Manganite Perovskites REMnO3 for Spintronics and Optoelectronics Applications

Electronic band structure and optoelectronic properties of double perovskite Sr2MgMoO6 through modified Becke-Johnson potential

First-Principles Calculations of Novel Lead-Free X2GeSnI6 (X = Rb, Cs) Double Perovskite Compounds for Optoelectronic and Energy Exploitations

A Comprehensive GGA Investigation on the Structural, Elastic, Electronic, and Magnetic Properties of Vanadium-Based Half-Heusler XVZ (X = Cr, Mn, Fe; Z = Sn, Sb) Compounds

Optimizing Lead-Free Chalcogenide Perovskite Solar Cells: A Path to High Efficiency and Stability for Renewable Energy Conversion

Impact of 3d-transition metal [T = Sc, Ti, V, Cr, Mn, Fe, Co] on praseodymium perovskites PrTO3: standard spin-polarized GGA and GGA+U investigations

Electronic, magnetic, and optical characteristics of half-semiconductor double perovskite oxide Sr2CrOsO6 governed by 3d (t2g3)–5d (t2g3) antiferromagnetic coupling

First principle insight on optoelectronic and transport characteristics of lead-free inorganic double perovskites Rb2KTlX6 (X = Cl, Br) for solar cell applications

Optoelectronic and thermoelectronic properties of 3d, 4d, and 5d based semiconductor half-Heuslers (Ni/Pd/Pt)ScSb with narrow bandgap

Impact of social media on Working Memory and Academic Performance of Undergraduate Students- A Cross-sectional Study

Mechanical, optoelectronic and thermoelectronic properties of double perovskites halides Rb2TCl6 [T = V, Cr, Mn] for optoelectronics and thermoelectronic applications

DFT insights into LaFeO 3 with Mn substitution: A promising path to energy-efficient magneto-optical applications

Computational insights into the structural, electronic, and optoelectronic properties of Sr2MgXO6 (X = S, Se) double perovskites: promising candidates for photovoltaic and optoelectronic applications

Physical properties of vacancy-ordered double perovskites K 2 TcZ 6 (Z = Cl, Br) for spintronics applications: DFT calculations

Pyrite Scale Removal Using Green Formulations for Oil and Gas Applications: Reaction Kinetics

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