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Density Functional Theory and Molecular Docking Investigations of the Chemical and Antibacterial Activities for 1-(4-Hydroxyphenyl)-3-phenylprop-2-en-1-one

Molecules (Basel, Switzerland), 2021-06, Vol.26 (12), p.3631

2021

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First-principles calculations to investigate mechanical, thermoelectric and optical performance of inorganic double perovskites Rb2AgAlZ6 (Z = Br, I) for energy harvesting

Journal of materials research and technology, 2023-05, Vol.24, p.5588-5597

2023

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Study of inorganic double perovskites Cs2RbZI6 (Z = Ga, In) as energy harvesting aspirant: a DFT approach

Optical and quantum electronics, 2023-10, Vol.55 (10), Article 918

2023

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Study of double perovskites X2InSbO6 (X = Sr, Ba) for renewable energy; alternative of organic-inorganic perovskites

Journal of materials research and technology, 2022-05, Vol.18, p.4403-4412

2022

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First principle study of magnesium-based chalcogenides MgLa2(S/Se)4 for solar cells and renewable energy applications

Applied physics. A, Materials science & processing, 2022, Vol.128 (1), Article 38

2022

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Nuclear Shape Transition, Triaxiality and Energy Staggering of -Band States for Even–Even Xenon Isotopic Chain

Physics of atomic nuclei, 2023-08, Vol.86 (4), p.356-369

2023

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First-principles study of lead-free double perovskites Ga2PdX6 (X = Cl, Br, and I) for solar cells and renewable energy

Journal of materials research and technology, 2022-01, Vol.16, p.631-639

2022

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Study of optoelectronic, thermoelectric, mechanical properties of double perovskites Cs2AgAsX6 (X = cl, br, I) for solar cells and energy harvesting

Optical and quantum electronics, 2023-06, Vol.55 (6), Article 527

2023

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Study of lead-free double perovskites X2AgBiI6 (X = K, Rb, Cs) for solar cells and thermoelectric applications

Journal of materials research and technology, 2023-01, Vol.22, p.913-922

2023

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First principle study of optoelectronic and mechanical properties of lead-free double perovskites Cs2SeX6 (X = Cl, Br, I)

Journal of Taibah University for Science, 2022-12, Vol.16 (1), p.155-162

2022

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Study of half metallic ferromagnetism and thermoelectric properties of spinel chalcogenides BaCr2X4 (X = S, Se, Te) for spintronic and energy harvesting

Journal of materials research and technology, 2022-05, Vol.18 (May–June 2022), p.2831-2841

2022

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Optoelectronic and thermoelectric properties of A3AsN (A = Mg, Ca, Sr and Ba) in cubic and orthorhombic phase

Journal of materials research and technology, 2021-07, Vol.13, p.1485-1495

2021

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First-principles investigation for the hydrogen storage properties of AeSiH3 (Ae = Li, K, Na, Mg) perovskite-type hydrides

International journal of hydrogen energy, 2024-01, Vol.50, p.1435-1447

2024

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Half Metallic Ferromagnetism and Transport Properties of Zinc Chalcogenides ZnX2Se4 (X = Ti, V, Cr) for Spintronic Applications

Materials, 2022-01, Vol.15 (1), p.55

2022

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Correction: Al-Qhtani et al. Half Metallic Ferromagnetism and Transport Properties of Zinc Chalcogenides ZnX2Se4 (X = Ti, V, Cr) for Spintronic Applications. Materials 2022, 15, 55

Materials, 2022-03, Vol.15 (7), p.2521

2022

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First principle analysis of lead-free variant perovskites iodides for optical and thermoelectric applications

Journal of materials research and technology, 2021-11, Vol.15, p.5165-5174

2021

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Exploring the physical properties of Ae2TlCoF6 (Ae = Rb, Cs) double perovskites for solar cell applications by first-principles calculations

Inorganic chemistry communications, 2023-12, Vol.158, p.111656, Article 111656

2023

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Quantum ferromagnetism in transition metals doped II-VI semiconductors for spintronic applications: A merging technology

Solid state communications, 2022-09, Vol.352, p.114835, Article 114835

2022

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Modification of band gaps by changing anions to optimize the double perovskites K2NaTlX6 (X = Cl, Br, I) for solar cells and transport applications

Chemical physics letters, 2023-10, Vol.829, p.140754, Article 140754

2023

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Study of new lead-free double perovskites halides Tl2TiX6 (X = Cl, Br, I) for solar cells and renewable energy devices

Journal of solid state chemistry, 2022-04, Vol.308, p.122887, Article 122887

2022

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Nuclear Shape Transition, Triaxiality and Energy Staggering of $$\Upsilon$$-Band States for Even–Even Xenon Isotopic Chain

Physics of atomic nuclei, 2023-08, Vol.86 (4), p.356-369

2023

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Half metallic ferroamgnetism, and transport properties of vacancy ordered double perovskites Rb2(Os/Ir)X6 (X = Cl, Br) for spintronic applications

Ceramics international, 2022-08, Vol.48 (16), p.23460-23467

2022

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Tuning of band gap by anion variation of double perovskites K2AgInX6 (X = Cl, Br) for solar cells and thermoelectric applications

Journal of solid state chemistry, 2023-03, Vol.319, p.123820, Article 123820

2023

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First principle study of optoelectronic and thermoelectric properties of magnesium based MgX2O4 (X = Sb, Bi) spinels

Journal of solid state chemistry, 2021-11, Vol.303, p.122480, Article 122480

2021

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Exploring the physical properties of Rb2TlSbM6 (M = Cl, Br) inorganic halide perovskites for solar cell applications: A DFT study

Inorganic chemistry communications, 2024-07, Vol.165, p.112528, Article 112528

2024

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Density Functional Theory and Molecular Docking Investigations of the Chemical and Antibacterial Activities for 1-(4-Hydroxyphenyl)-3-phenylprop-2-en-1-one

First-principles calculations to investigate mechanical, thermoelectric and optical performance of inorganic double perovskites Rb2AgAlZ6 (Z = Br, I) for energy harvesting

Study of inorganic double perovskites Cs2RbZI6 (Z = Ga, In) as energy harvesting aspirant: a DFT approach

Study of double perovskites X2InSbO6 (X = Sr, Ba) for renewable energy; alternative of organic-inorganic perovskites

First principle study of magnesium-based chalcogenides MgLa2(S/Se)4 for solar cells and renewable energy applications

Nuclear Shape Transition, Triaxiality and Energy Staggering of -Band States for Even–Even Xenon Isotopic Chain

First-principles study of lead-free double perovskites Ga2PdX6 (X = Cl, Br, and I) for solar cells and renewable energy

Study of optoelectronic, thermoelectric, mechanical properties of double perovskites Cs2AgAsX6 (X = cl, br, I) for solar cells and energy harvesting

Study of lead-free double perovskites X2AgBiI6 (X = K, Rb, Cs) for solar cells and thermoelectric applications

First principle study of optoelectronic and mechanical properties of lead-free double perovskites Cs2SeX6 (X = Cl, Br, I)

Study of half metallic ferromagnetism and thermoelectric properties of spinel chalcogenides BaCr2X4 (X = S, Se, Te) for spintronic and energy harvesting

Optoelectronic and thermoelectric properties of A3AsN (A = Mg, Ca, Sr and Ba) in cubic and orthorhombic phase

First-principles investigation for the hydrogen storage properties of AeSiH3 (Ae = Li, K, Na, Mg) perovskite-type hydrides

Half Metallic Ferromagnetism and Transport Properties of Zinc Chalcogenides ZnX2Se4 (X = Ti, V, Cr) for Spintronic Applications

Correction: Al-Qhtani et al. Half Metallic Ferromagnetism and Transport Properties of Zinc Chalcogenides ZnX2Se4 (X = Ti, V, Cr) for Spintronic Applications. Materials 2022, 15, 55

First principle analysis of lead-free variant perovskites iodides for optical and thermoelectric applications

Exploring the physical properties of Ae2TlCoF6 (Ae = Rb, Cs) double perovskites for solar cell applications by first-principles calculations

Quantum ferromagnetism in transition metals doped II-VI semiconductors for spintronic applications: A merging technology

Modification of band gaps by changing anions to optimize the double perovskites K2NaTlX6 (X = Cl, Br, I) for solar cells and transport applications

Study of new lead-free double perovskites halides Tl2TiX6 (X = Cl, Br, I) for solar cells and renewable energy devices

Nuclear Shape Transition, Triaxiality and Energy Staggering of $$\Upsilon$$-Band States for Even–Even Xenon Isotopic Chain

Half metallic ferroamgnetism, and transport properties of vacancy ordered double perovskites Rb2(Os/Ir)X6 (X = Cl, Br) for spintronic applications

Tuning of band gap by anion variation of double perovskites K2AgInX6 (X = Cl, Br) for solar cells and thermoelectric applications

First principle study of optoelectronic and thermoelectric properties of magnesium based MgX2O4 (X = Sb, Bi) spinels

Exploring the physical properties of Rb2TlSbM6 (M = Cl, Br) inorganic halide perovskites for solar cell applications: A DFT study

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