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Two-dimensional CsPbI3/CsPbBr3 vertical heterostructure: a potential photovoltaic absorber

Scientific reports, 2023-12, Vol.13 (1), p.21551-21551, Article 21551

2023

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Remarkable enhancement of the adsorption and diffusion performance of alkali ions in two-dimensional (2D) transition metal oxide monolayers via Ru-doping

Scientific reports, 2024-02, Vol.14 (1), p.4371-4371, Article 4371

2024

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Size-Dependent Fullerenes for Enhanced Interaction of l‑Leucine: A Combined DFT and MD Simulations Approach

Langmuir, 2024-07, Vol.40 (27), p.13844-13859

2024

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A simple and efficient synthesis of a series of N -(thiazol-2-yl)piperidine-2,6-dione compounds and their interesting NLO properties

CrystEngComm, 2024-06, Vol.26 (23), p.3069-3076

2024

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Utilization of doped GQDs for ultrasensitive detection of catastrophic melamine: A new SERS platform

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2020-01, Vol.224, p.117352, Article 117352

2020

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A quantum mechanical prediction of C24 fullerene as a DNA nucleobase biosensor

Diamond and related materials, 2022-11, Vol.129, p.109305, Article 109305

2022

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Butterflyene: an entry into an aesthetically pleasing carbocycle via a Diels–Alder reaction on a tetrasubstituted olefin

Organic & biomolecular chemistry, 2023-10, Vol.21 (39), p.7917-7923

2023

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Chitosan supported silver nanostructures as surface-enhanced Raman scattering sensor: Spectroscopic and density functional theory insights

International journal of biological macromolecules, 2023-12, Vol.253, p.127444-127444, Article 127444

2023

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Type-II GeAs/GaSe heterostructure as suitable candidate for solar power conversion efficiency

Solar energy, 2021-07, Vol.223, p.87-99

2021

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Electron density modulation of a metallic GeSb monolayer by pnictogen doping for excellent hydrogen evolution

Physical chemistry chemical physics : PCCP, 2020-09, Vol.22 (35), p.19823-19836

2020

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Role of CuAlO2 as an absorber layer for solar energy converter

Solar energy, 2019-11, Vol.193, p.799-805

2019

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Strain and layer modulated electronic and optical properties of low dimensional perovskite methylammonium lead iodide: Implications to solar cells

Solar energy, 2018-10, Vol.173, p.1315-1322

2018

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Investigation of Topological and Catalytic Properties of Gold Iodide Monolayer: A Density Functional Theory Study

Physica status solidi. PSS-RRL. Rapid research letters, 2022-05, Vol.16 (5), p.n/a

2022

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Magnetic behavior study of samarium nitride using density functional theory

Journal of magnetism and magnetic materials, 2018-02, Vol.448, p.186-191

2018

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Zeolite-Y entrapped metallo-pyrazolone complexes as heterogeneous catalysts: Synthesis, catalytic aptitude and computational investigation

Microporous and mesoporous materials, 2018-05, Vol.261, p.275-285

2018

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Enhancing the potency of surface hydroxyl groups of graphene oxide for selective oxidation of benzyl alcohol

Diamond and related materials, 2018-11, Vol.90, p.154-165

2018

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Optical Switching Device Based on a Crystalline SnSe2 Photodetector in Diverse Conditions

ACS applied electronic materials, 2021-11, Vol.3 (11), p.4859-4869

2021

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Hydrogen evolution reaction of metal di-chalcogenides: ZrS2, ZrSe2 and Janus ZrSSe

International journal of hydrogen energy, 2020-09, Vol.45 (44), p.23920-23927

2020

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Enhancement in the catalytic activity of two-dimensional α-CN by B, Si and P doping for hydrogen evolution and oxygen evolution reactions

International journal of hydrogen energy, 2021-06, Vol.46 (43), p.22478-22498

2021

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Hydrogen evolution reaction: The role of arsenene nanosheet and dopant

International journal of hydrogen energy, 2018-11, Vol.43 (47), p.21634-21641

2018

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Hydrogen evolution and oxygen evolution reactions of pristine and alkali metal doped SnSe2 monolayer

International journal of hydrogen energy, 2020-07, Vol.45 (37), p.18657-18665

2020

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First Principles Study of Electronic, Lattice Dynamic, and Thermal Properties of Single Layer Phosphorene

Advanced Materials Research, 2016-08, Vol.1141, p.210-214

2016

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Structural, Electronic and Dynamical Properties of Binary Alloy Zr-Al Using Density Functional Theory

Advanced Materials Research, 2016-08, Vol.1141, p.204-209

2016

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Nitrogen-decorated borophene: An empowering contestant for hydrogen storage

Applied surface science, 2020-10, Vol.527, p.146852, Article 146852

2020

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Electronic Properties of Twisted hBN/NbSe 2 Hetero-structure and Its Application as an Electrode in Lithium-Ion Battery: First-Principle Study

Journal of physical chemistry. C, 2024-02, Vol.128 (5), p.1877-1885

2024

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Two-dimensional CsPbI3/CsPbBr3 vertical heterostructure: a potential photovoltaic absorber

Remarkable enhancement of the adsorption and diffusion performance of alkali ions in two-dimensional (2D) transition metal oxide monolayers via Ru-doping

Size-Dependent Fullerenes for Enhanced Interaction of l‑Leucine: A Combined DFT and MD Simulations Approach

A simple and efficient synthesis of a series of N -(thiazol-2-yl)piperidine-2,6-dione compounds and their interesting NLO properties

Utilization of doped GQDs for ultrasensitive detection of catastrophic melamine: A new SERS platform

A quantum mechanical prediction of C24 fullerene as a DNA nucleobase biosensor

Butterflyene: an entry into an aesthetically pleasing carbocycle via a Diels–Alder reaction on a tetrasubstituted olefin

Chitosan supported silver nanostructures as surface-enhanced Raman scattering sensor: Spectroscopic and density functional theory insights

Type-II GeAs/GaSe heterostructure as suitable candidate for solar power conversion efficiency

Electron density modulation of a metallic GeSb monolayer by pnictogen doping for excellent hydrogen evolution

Role of CuAlO2 as an absorber layer for solar energy converter

Strain and layer modulated electronic and optical properties of low dimensional perovskite methylammonium lead iodide: Implications to solar cells

Investigation of Topological and Catalytic Properties of Gold Iodide Monolayer: A Density Functional Theory Study

Magnetic behavior study of samarium nitride using density functional theory

Zeolite-Y entrapped metallo-pyrazolone complexes as heterogeneous catalysts: Synthesis, catalytic aptitude and computational investigation

Enhancing the potency of surface hydroxyl groups of graphene oxide for selective oxidation of benzyl alcohol

Optical Switching Device Based on a Crystalline SnSe2 Photodetector in Diverse Conditions

Hydrogen evolution reaction of metal di-chalcogenides: ZrS2, ZrSe2 and Janus ZrSSe

Enhancement in the catalytic activity of two-dimensional α-CN by B, Si and P doping for hydrogen evolution and oxygen evolution reactions

Hydrogen evolution reaction: The role of arsenene nanosheet and dopant

Hydrogen evolution and oxygen evolution reactions of pristine and alkali metal doped SnSe2 monolayer

First Principles Study of Electronic, Lattice Dynamic, and Thermal Properties of Single Layer Phosphorene

Structural, Electronic and Dynamical Properties of Binary Alloy Zr-Al Using Density Functional Theory

Nitrogen-decorated borophene: An empowering contestant for hydrogen storage

Electronic Properties of Twisted hBN/NbSe 2 Hetero-structure and Its Application as an Electrode in Lithium-Ion Battery: First-Principle Study

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