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A DFT study on a borophene/boron nitride interface for its application as an electrode

Physical chemistry chemical physics : PCCP, 2020-02, Vol.22 (6), p.334-3313

2020

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Bismuthene as a novel anode material of magnesium/zinc ion batteries with high capacity and stability: a DFT calculation

Physical chemistry chemical physics : PCCP, 2024-10, Vol.26 (42), p.27007-27018

2024

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Computational study of novel 2H chromium ditelluride as an anode material for Li/K-ion batteries

RSC advances, 2024-10, Vol.14 (47), p.34515-34525

2024

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Adsorption behavior of different cresols on bismuthene: a DFT study

RSC advances, 2024-06, Vol.14 (26), p.18787-18797

2024

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Pristine and aurum-decorated tungsten ditellurides as sensing materials for VOCs detection in exhaled human breath: DFT analysis

RSC advances, 2024-08, Vol.14 (37), p.26788-26800

2024

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A review of the interfacial properties of 2-D materials for energy storage and sensor applications

Chinese journal of physics (Taipei), 2020-08, Vol.66, p.246-257

2020

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Evolving mortality rates in people who inject drugs: An Australian tertiary hospital observational study on infective endocarditis

PloS one, 2022-08, Vol.17 (8), p.e0270283-e0270283

2022

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Computational designing of Au-decorated buckled bismuthene and its application as a humidity gas sensor

Materials chemistry and physics, 2023-02, Vol.295, p.127174, Article 127174

2023

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Enhanced photocatalytic hydrogen energy production of g‐C3N4‐WO3 composites under visible light irradiation

International journal of energy research, 2018-12, Vol.42 (15), p.4667-4673

2018

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Empowering spintronics performance of 3d transition metal adsorbed B4C3 monolayer: A DFT outlook

The Journal of physics and chemistry of solids, 2024-04, Vol.187, p.111599, Article 111599

2024

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A comparative DFT study of borophene as a promising drug delivery vehicle for carmustine and nitrosourea anti-cancer drugs

Chemical physics letters, 2024-12, Vol.856, p.141606, Article 141606

2024

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Computational exploration of high-capacity hydrogen storage in alkali metal-decorated MgB2 material

Journal of power sources, 2024-09, Vol.613, p.234881, Article 234881

2024

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Adsorption of 4D and 5D transition metals on antimonene for optoelectronics and spintronics applications

Journal of magnetism and magnetic materials, 2023-08, Vol.580, p.170968, Article 170968

2023

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Computational investigation of pure antimonene and antimonene/bismuthene heterostructure for detecting thermal runaway gases

Sensors and actuators. A. Physical., 2024-10, Vol.376, p.115598, Article 115598

2024

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Investigation of Photocatalytic and Seed Germination Effects of TiO2 Nanoparticles Synthesized by Melia azedarach L. Leaf Extract

Journal of inorganic and organometallic polymers and materials, 2019-11, Vol.29 (6), p.2133-2144

2019

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Correlation between electronic and optical responses of intrinsic and Cd-doped c-SrHfO3: A computational insight

Physica. B, Condensed matter, 2021-03, Vol.605, p.412493, Article 412493

2021

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Adsorption behavior of dissolved gas molecules in transformer oil on pure and Li/Ag modified borophene monolayer

Materials science in semiconductor processing, 2025-01, Vol.185, p.109005, Article 109005

2025

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Insights into bismuthene and antimonene as cisplatin drug carriers: A theoretical comparative investigation

Chemical physics, 2025-01, Vol.588, p.112460, Article 112460

2025

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Investigating the dilute magnetic semiconductor behavior of 4d transition metal adsorption on B4C3

Journal of magnetism and magnetic materials, 2024-05, Vol.598, p.172045, Article 172045

2024

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Role of nanophotocatalysts for the treatment of hazardous organic and inorganic pollutants in wastewater

International journal of environmental analytical chemistry, 2022-01, Vol.102 (2), p.491-515

2022

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Synthesis, characterization and antibacterial activity of NiO NPs against pathogen

Inorganic chemistry communications, 2020-12, Vol.122, p.108300, Article 108300

2020

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Computational study of pure and Lithium decorated bismuthene for detection of VOCs

Journal of molecular liquids, 2024-09, Vol.410, p.125625, Article 125625

2024

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Exploring the sensing potential of Fe-decorated h-BN toward harmful gases: a DFT study

RSC advances, 2024-02, Vol.14 (1), p.74-751

2024

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First-principles calculations to investigate Structural, Electronic, optical and mechanical properties of Cu-based fluoroperovskite XCuF3 (X = K, Ru)

Computational and theoretical chemistry, 2023-06, Vol.1224, p.114115, Article 114115

2023

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Controlled growth of Mo-Doped NiO nanowires with enhanced electrochemical performance for supercapacitor applications

Materials science & engineering. B, Solid-state materials for advanced technology, 2022-10, Vol.284, p.115881, Article 115881

2022

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A DFT study on a borophene/boron nitride interface for its application as an electrode

Bismuthene as a novel anode material of magnesium/zinc ion batteries with high capacity and stability: a DFT calculation

Computational study of novel 2H chromium ditelluride as an anode material for Li/K-ion batteries

Adsorption behavior of different cresols on bismuthene: a DFT study

Pristine and aurum-decorated tungsten ditellurides as sensing materials for VOCs detection in exhaled human breath: DFT analysis

A review of the interfacial properties of 2-D materials for energy storage and sensor applications

Evolving mortality rates in people who inject drugs: An Australian tertiary hospital observational study on infective endocarditis

Computational designing of Au-decorated buckled bismuthene and its application as a humidity gas sensor

Enhanced photocatalytic hydrogen energy production of g‐C3N4‐WO3 composites under visible light irradiation

Empowering spintronics performance of 3d transition metal adsorbed B4C3 monolayer: A DFT outlook

A comparative DFT study of borophene as a promising drug delivery vehicle for carmustine and nitrosourea anti-cancer drugs

Computational exploration of high-capacity hydrogen storage in alkali metal-decorated MgB2 material

Adsorption of 4D and 5D transition metals on antimonene for optoelectronics and spintronics applications

Computational investigation of pure antimonene and antimonene/bismuthene heterostructure for detecting thermal runaway gases

Investigation of Photocatalytic and Seed Germination Effects of TiO2 Nanoparticles Synthesized by Melia azedarach L. Leaf Extract

Correlation between electronic and optical responses of intrinsic and Cd-doped c-SrHfO3: A computational insight

Adsorption behavior of dissolved gas molecules in transformer oil on pure and Li/Ag modified borophene monolayer

Insights into bismuthene and antimonene as cisplatin drug carriers: A theoretical comparative investigation

Investigating the dilute magnetic semiconductor behavior of 4d transition metal adsorption on B4C3

Role of nanophotocatalysts for the treatment of hazardous organic and inorganic pollutants in wastewater

Synthesis, characterization and antibacterial activity of NiO NPs against pathogen

Computational study of pure and Lithium decorated bismuthene for detection of VOCs

Exploring the sensing potential of Fe-decorated h-BN toward harmful gases: a DFT study

First-principles calculations to investigate Structural, Electronic, optical and mechanical properties of Cu-based fluoroperovskite XCuF3 (X = K, Ru)

Controlled growth of Mo-Doped NiO nanowires with enhanced electrochemical performance for supercapacitor applications

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