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Analysis of direct band gap A2ScInI6 (A=Rb, Cs) double perovskite halides using DFT approach for renewable energy devices

Journal of materials research and technology, 2021-07, Vol.13, p.2491-2500

2021

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Probing direct bandgap of double perovskites Rb2LiTlX6 (X = Cl, Br) and optoelectronic characteristics for Solar cell applications: DFT calculations

Journal of materials research and technology, 2022-05, Vol.18, p.4775-4785

2022

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Investigation of ferromagnetic semiconducting and opto-electronic properties of Zn1−xMnxS (0 ≤ x ≤ 1) alloys: A DFT-mBJ approach

Current Applied Physics, 2016, 16(11), , pp.1473-1483

2016

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Ab-initio study of electronic, magnetic and thermoelectric behaviors of LiV2O4 and LiCr2O4 using modified Becke-Johson (mBJ) potential

Physica. B, Condensed matter, 2018-05, Vol.537, p.329-335

2018

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First-principle investigation of thermoelectric and optoelectronic properties of Rb2KScI6 and Cs2KScI6 double perovskite for solar cell devices

Journal of materials research and technology, 2022-11, Vol.21, p.841-849

2022

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Tuning of direct bandgap of Rb2ScTlX6 (X = Cl, Br, I) double perovskites through halide ion substitution for solar cell devices

Journal of materials research and technology, 2022-07, Vol.19, p.1271-1281

2022

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Exploration of magnesium based MgX2O4 (X = Rh, Bi) spinels for thermoelectric applications using density functional theory (DFT)

Journal of materials research and technology, 2020-05, Vol.9 (3), p.6135-6142

2020

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Density functional theory study of electronic, optical and transport properties of magnesium based MgY2Z4 (Z = S and Se) spinels

Current Applied Physics, 2020, 20(10), , pp.1097-1102

2020

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Physical properties of alkali metals-based iodides via Ab-initio calculations

The Journal of physics and chemistry of solids, 2019-09, Vol.132, p.68-75

2019

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Ab-initio method to investigate organic halide based double perovskites (CH3NH3)2AgMBr6 (M = Sb, Bi) for opto-electronic applications

Journal of materials research and technology, 2022-03, Vol.17, p.649-657

2022

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Spin-dependent rare-earth-based MgPr2X4 (X = S, Se) spinels investigations for spintronic and sustainable energy systems applications

Results in physics, 2021-01, Vol.20, p.103709, Article 103709

2021

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A comparative DFT study of CdKF3 and CdKCl3 halide perovskite materials for energy harvesting applications

Results in physics, 2023-12, Vol.55, p.107137, Article 107137

2023

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First-principles calculations to investigate HgY2S/Se4 spinel chalcogenides for optoelectronic and thermoelectric applications

Journal of materials research and technology, 2023-01, Vol.22, p.97-106

2023

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Study of half metallic nature and transport properties of XMnSe2 (X = Ca, Sr and Ba) compounds via ab-initio calculations

Journal of materials research and technology, 2020-09, Vol.9 (5), p.10511-10519

2020

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First-principles investigation of structural, elastic, electronic and magnetic properties of Be0.75Co0.25Y (YS, Se and Te) compounds

Current Applied Physics, 2015, 15(11), , pp.1324-1331

2015

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Comprehensive DFT investigation of Cd-based spinel chalcogenides for spintronic and solar cells devices

Journal of materials research and technology, 2021-11, Vol.15, p.4683-4693

2021

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Tuning of the electronic bandgap of SnSe compound by oxygen and sulphur doping and their optical characteristics for solar cell applications

Journal of materials research and technology, 2022-07, Vol.19, p.3443-3450

2022

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Does preoperative platelet-lymphocyte ratio or prognostic nutritional index predict survival after surgical resection for hepatocellular carcinoma?

HPB (Oxford, England), 2016-04, Vol.18, p.e709-e710

2016

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The pressure-induced mechanical and optoelectronic behavior of cubic perovskite PbSnO3 via ab-initio investigations

Ceramics international, 2018-08, Vol.44 (12), p.13750-13756

2018

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Ab-initio simulations of Li-based double perovksites A2LiInBr6 (A = Rb, Cs) for solar cell applications

Chemical physics letters, 2022-07, Vol.798, p.139612, Article 139612

2022

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Investigation of the rare earth-based LaYO3 (Y = Cr and Mn) perovskites by ab-initio approach

Chemical physics letters, 2020-01, Vol.739, p.137031, Article 137031

2020

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Does inability to demonstrate aetiologic microorganism in pyogenic liver abscess result in adverse outcomes compared to klebsiella pneumonia pyogenic liver abscess?

HPB (Oxford, England), 2016-04, Vol.18, p.e707-e707

2016

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Tuning of the electronic bandgap of lead-free double perovskites K2AgBiX6 (X = Cl, Br) for solar cells applications and their thermoelectric characteristics

Solar energy, 2022-06, Vol.239, p.234-241

2022

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Bandgap tuning and thermoelectric characteristics of Sc-based double halide perovskites K2ScAgZ6 (Z = Cl, Br, I) for solar cells applications

The Journal of physics and chemistry of solids, 2023-03, Vol.174, p.111115, Article 111115

2023

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Theoretical investigations of optoelectronic and transport properties of Rb2YInX6 (X = Cl, Br, I) double perovskite materials for solar cell applications

Solar energy, 2022-01, Vol.231, p.586-592

2022

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Analysis of direct band gap A2ScInI6 (A=Rb, Cs) double perovskite halides using DFT approach for renewable energy devices

Probing direct bandgap of double perovskites Rb2LiTlX6 (X = Cl, Br) and optoelectronic characteristics for Solar cell applications: DFT calculations

Investigation of ferromagnetic semiconducting and opto-electronic properties of Zn1−xMnxS (0 ≤ x ≤ 1) alloys: A DFT-mBJ approach

Ab-initio study of electronic, magnetic and thermoelectric behaviors of LiV2O4 and LiCr2O4 using modified Becke-Johson (mBJ) potential

First-principle investigation of thermoelectric and optoelectronic properties of Rb2KScI6 and Cs2KScI6 double perovskite for solar cell devices

Tuning of direct bandgap of Rb2ScTlX6 (X = Cl, Br, I) double perovskites through halide ion substitution for solar cell devices

Exploration of magnesium based MgX2O4 (X = Rh, Bi) spinels for thermoelectric applications using density functional theory (DFT)

Density functional theory study of electronic, optical and transport properties of magnesium based MgY2Z4 (Z = S and Se) spinels

Physical properties of alkali metals-based iodides via Ab-initio calculations

Ab-initio method to investigate organic halide based double perovskites (CH3NH3)2AgMBr6 (M = Sb, Bi) for opto-electronic applications

Spin-dependent rare-earth-based MgPr2X4 (X = S, Se) spinels investigations for spintronic and sustainable energy systems applications

A comparative DFT study of CdKF3 and CdKCl3 halide perovskite materials for energy harvesting applications

First-principles calculations to investigate HgY2S/Se4 spinel chalcogenides for optoelectronic and thermoelectric applications

Study of half metallic nature and transport properties of XMnSe2 (X = Ca, Sr and Ba) compounds via ab-initio calculations

First-principles investigation of structural, elastic, electronic and magnetic properties of Be0.75Co0.25Y (YS, Se and Te) compounds

Comprehensive DFT investigation of Cd-based spinel chalcogenides for spintronic and solar cells devices

Tuning of the electronic bandgap of SnSe compound by oxygen and sulphur doping and their optical characteristics for solar cell applications

Does preoperative platelet-lymphocyte ratio or prognostic nutritional index predict survival after surgical resection for hepatocellular carcinoma?

The pressure-induced mechanical and optoelectronic behavior of cubic perovskite PbSnO3 via ab-initio investigations

Ab-initio simulations of Li-based double perovksites A2LiInBr6 (A = Rb, Cs) for solar cell applications

Investigation of the rare earth-based LaYO3 (Y = Cr and Mn) perovskites by ab-initio approach

Does inability to demonstrate aetiologic microorganism in pyogenic liver abscess result in adverse outcomes compared to klebsiella pneumonia pyogenic liver abscess?

Tuning of the electronic bandgap of lead-free double perovskites K2AgBiX6 (X = Cl, Br) for solar cells applications and their thermoelectric characteristics

Bandgap tuning and thermoelectric characteristics of Sc-based double halide perovskites K2ScAgZ6 (Z = Cl, Br, I) for solar cells applications

Theoretical investigations of optoelectronic and transport properties of Rb2YInX6 (X = Cl, Br, I) double perovskite materials for solar cell applications

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