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Electronic and optical properties of ultra-small diameter armchair carbon and boron nitride nanotubes by PBE, TB-mBJ and YS-PBE0 functionals

Diamond and related materials, 2022-03, Vol.123, p.108863, Article 108863

2022

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Structural, electronic and optical properties of AB bilayer graphene intercalated by Sr atom: A first principles study

Diamond and related materials, 2022-06, Vol.126, p.109082, Article 109082

2022

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Structural and electronic properties of N-doping ultra-small diameter (3,3) armchair SWCNT by using PBE and TB-mBJ potentials

Applied surface science, 2021-10, Vol.563, p.150283, Article 150283

2021

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Electronic and optical properties of CsGeX2M (X ,M=Br, Cl, I) perovskites for solar cell applications: First-principles study using PBE and TB-mBJ potentials

Materials science in semiconductor processing, 2022-06, Vol.143, Article 106488

2022

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Optoelectronic and thermoelectric properties of double halide perovskite Cs 2 AgBiI 6 for renewable energy devices

Solar energy, 2023-08, Vol.260, p.1-10

2023

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Electronic and optical properties of CsGeX 2 M (X ,M = Br, Cl, I) perovskites for solar cell applications: First-principles study using PBE and TB-mBJ potentials

Materials science in semiconductor processing, 2022-06, Vol.143, p.106488, Article 106488

2022

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Optoelectronic and thermoelectric properties of double halide perovskite Cs2AgBiI6 for renewable energy devices

Solar energy, 2023-08, Vol.260, p.1-10

2023

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Improving thermoelectric properties of Bernal bilayer graphene by strontium intercalation: A DFT study

Diamond and related materials, 2024-01, Vol.141, p.110590, Article 110590

2024

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Enhanced thermoelectric properties of SWCNT by new nitrogen chains doping

Diamond and related materials, 2023-06, Vol.136, p.110000, Article 110000

2023

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Electronic and optical properties of bulk Zn 2 VN 3 ternary nitride: First-principles investigation

Materials science in semiconductor processing, 2023-11, Vol.166, p.107725, Article 107725

2023

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Controlling optical properties of small SWCNT using new N-doping chains method: A first-principles study

Physica. E, Low-dimensional systems & nanostructures, 2023-04, Vol.148, p.115627, Article 115627

2023

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Electronic and optical properties of bulk Zn2VN3 ternary nitride: First-principles investigation

Materials science in semiconductor processing, 2023-11, Vol.166, Article 107725

2023

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First-principles investigation of the structural, electronic and optical properties of Zn2NbN3

Revista mexicana de física, 2023-07, Vol.69 (4 Jul-Aug)

2023

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Intercalation of Sr in AA stacked bilayer graphene : DFT study of the electronic structure and optical properties

Materials today communications, 2022-12, Vol.33, p.104714, Article 104714

2022

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Improved thermoelectric properties of AB stacking bilayer graphene by Sr-intercalation according to chemical potential

Materials today communications, 2023-12, Vol.37, p.107118, Article 107118

2023

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Enhanced stability and optoelectronic properties of double perovskite Cs2AgSbI6 by Br doping for solar cells

Materials Today Sustainability, 2023-12, Vol.24, p.100572, Article 100572

2023

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DFT investigation of optoelectronic properties of ultra-small C, CN and SiC nanotubes

2022 International Conference on Numerical Simulation of Optoelectronic Devices (NUSOD), 2022, p.127-128

2022

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Binding selectivity analysis of new delhi metallo-beta-lactamase-1 inhibitors using molecular dynamics simulations: Exploring possibilities for decoding antimicrobial drug resistance

Journal of infection and public health, 2024-06, Vol.17 (6), p.1108-1116

2024

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Molecular Modeling and simulation-based identification of inhibitors against new Delhi Metallo-Lactamase 1: Implications for bacterial antibiotic resistance

Journal of King Saud University. Science, 2024-09, Vol.36 (8), p.103290, Article 103290

2024

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A meta-analysis of cohort and pilot studies indicates association of mouthwash use and risk of hypertension in adults

Journal of King Saud University. Science, 2024-05, Vol.36 (5), p.103183, Article 103183

2024

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Ganoderma lucidum: Multifaceted mechanisms to combat diabetes through polysaccharides and triterpenoids: A comprehensive review

International journal of biological macromolecules, 2024-05, Vol.268 (Pt 1), p.131644-131644, Article 131644

2024

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Electronic and optical properties of ultra-small diameter armchair carbon and boron nitride nanotubes by PBE, TB-mBJ and YS-PBE0 functionals

Structural, electronic and optical properties of AB bilayer graphene intercalated by Sr atom: A first principles study

Structural and electronic properties of N-doping ultra-small diameter (3,3) armchair SWCNT by using PBE and TB-mBJ potentials

Electronic and optical properties of CsGeX2M (X ,M=Br, Cl, I) perovskites for solar cell applications: First-principles study using PBE and TB-mBJ potentials

Optoelectronic and thermoelectric properties of double halide perovskite Cs 2 AgBiI 6 for renewable energy devices

Electronic and optical properties of CsGeX 2 M (X ,M = Br, Cl, I) perovskites for solar cell applications: First-principles study using PBE and TB-mBJ potentials

Optoelectronic and thermoelectric properties of double halide perovskite Cs2AgBiI6 for renewable energy devices

Improving thermoelectric properties of Bernal bilayer graphene by strontium intercalation: A DFT study

Enhanced thermoelectric properties of SWCNT by new nitrogen chains doping

Electronic and optical properties of bulk Zn 2 VN 3 ternary nitride: First-principles investigation

Controlling optical properties of small SWCNT using new N-doping chains method: A first-principles study

Electronic and optical properties of bulk Zn2VN3 ternary nitride: First-principles investigation

First-principles investigation of the structural, electronic and optical properties of Zn2NbN3

Intercalation of Sr in AA stacked bilayer graphene : DFT study of the electronic structure and optical properties

Improved thermoelectric properties of AB stacking bilayer graphene by Sr-intercalation according to chemical potential

Enhanced stability and optoelectronic properties of double perovskite Cs2AgSbI6 by Br doping for solar cells

DFT investigation of optoelectronic properties of ultra-small C, CN and SiC nanotubes

Binding selectivity analysis of new delhi metallo-beta-lactamase-1 inhibitors using molecular dynamics simulations: Exploring possibilities for decoding antimicrobial drug resistance

Molecular Modeling and simulation-based identification of inhibitors against new Delhi Metallo-Lactamase 1: Implications for bacterial antibiotic resistance

A meta-analysis of cohort and pilot studies indicates association of mouthwash use and risk of hypertension in adults

Ganoderma lucidum: Multifaceted mechanisms to combat diabetes through polysaccharides and triterpenoids: A comprehensive review

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