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DFT studies on electrochemical properties of halide ions doped GDY-28 nanoflake for Na-ion battery applications

Materials science in semiconductor processing, 2022-07, Vol.145, p.106651, Article 106651

2022

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Copper-doped Al12N12 nano-cages: potential candidates for nonlinear optical materials

Applied physics. A, Materials science & processing, 2018, Vol.124 (1), p.1-9, Article 14

2018

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A Theoretical Perspective on Strategies for Modeling High Performance Nonlinear Optical Materials

Frontiers in materials, 2021-12, Vol.8

2021

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Bioresorbable antibacterial PCL‐PLA‐nHA composite membranes for oral and maxillofacial defects

Polymer composites, 2019-04, Vol.40 (4), p.1564-1575

2019

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Assessment of alkali and alkaline earth metals doped cubanes as high-performance nonlinear optical materials by first-principles study

Journal of science. Advanced materials and devices, 2022-09, Vol.7 (3), p.100457, Article 100457

2022

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Characteristic Properties of Nanoclays and Characterization of Nanoparticulates and Nanocomposites

Nanoclay Reinforced Polymer Composites, 2016, p.35-55

2016

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Anchoring the late first row transition metals with B12P12 nanocage to act as single atom catalysts toward oxygen evolution reaction (OER)

Materials science in semiconductor processing, 2023-01, Vol.153, p.107164, Article 107164

2023

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Significant nonlinear optical response of alkaline earth metals doped beryllium and magnesium oxide nanocages

Materials chemistry and physics, 2020-02, Vol.242, p.122507, Article 122507

2020

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A DFT investigation on theranostic potential of alkaline earth metal doped phosphorenes for ifosfamide anti-cancer drug

Applied surface science, 2022-09, Vol.596, p.153618, Article 153618

2022

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Diamondoid as potential nonlinear optical material by superalkali doping: A first principles study

Diamond and related materials, 2023-05, Vol.135, p.109826, Article 109826

2023

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Superalkali (Li2F, Li3F) doped Al12N12 electrides with enhanced static, dynamic nonlinear optical responses and refractive indices

Materials science in semiconductor processing, 2022-06, Vol.143, p.106518, Article 106518

2022

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Mechanistic enhanced cell voltage based on halides doped metal oxide fullerenes for use in Li-ion batteries: Insights from DFT intuition

Diamond and related materials, 2024-02, Vol.142, p.110778, Article 110778

2024

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Electrochemical sensing of heptazine graphitic C3N4 quantum dot for chemical warfare agents; a quantum chemical approach

Materials science in semiconductor processing, 2022-09, Vol.148, p.106753, Article 106753

2022

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First example of lanthanum as dopant on Al12N12 and Al12P12 nanocages for improved electronic and nonlinear optical properties with high stability

Materials science in semiconductor processing, 2021-11, Vol.135, p.106122, Article 106122

2021

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Nonlinear optical (NLO) response of boron phosphide nanosheet by alkali metals doping: A DFT study

Materials science in semiconductor processing, 2022-11, Vol.151, p.107007, Article 107007

2022

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Eco-friendly synthesis of mesoporous bioactive glass ceramics and functionalization for drug delivery and hard tissue engineering applications

Biomedical materials (Bristol), 2024-05, Vol.19 (3)

2024

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Shedding light on the second order nonlinear optical responses of commercially available acidic azo dyes for laser applications

Dyes and pigments, 2022-06, Vol.202, p.110284, Article 110284

2022

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Superhalogen doping of aromatic heterocycles; effective approach for the enhancement of static and dynamic NLO response

Vacuum, 2022-09, Vol.203, p.111301, Article 111301

2022

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Electrochemical properties of lithium metal doped C60 fullerene for battery applications

Materials science in semiconductor processing, 2024-06, Vol.175, Article 108256

2024

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Boron-rich triphenylene COF based electrides having excellent nonlinear optical activity

Materials science in semiconductor processing, 2023-06, Vol.160, p.107468, Article 107468

2023

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A Rational Design of Alkali Metal-Doped Germanium Carbide Nanoclusters for High Nonlinear Optical Response and Ultraviolet Transparency

JOM (1989), 2023-12, Vol.75 (12), p.5893-5908

2023

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First-principles study for electrochemical sensing of neurotoxin hydrazine derivatives via h-g-C3N4 quantum dot

Surfaces and interfaces, 2022-06, Vol.30, p.101913, Article 101913

2022

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Novel microporous B6N6 covalent organic framework (COF) as an electrochemical sensor for the ultra-selective detection of nitroaniline isomers; a DFT outcome

Surfaces and interfaces, 2021-12, Vol.27, p.101587, Article 101587

2021

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Static, dynamic nonlinear optical (NLO) response and electride characteristics of superalkalis doped star like C6S6Li6

Surfaces and interfaces, 2022-07, Vol.31, p.102044, Article 102044

2022

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In situ synthesis of mesoporous polyvinyl alcohol/hydroxyapatite composites for better biomedical coating adhesion

Applied surface science, 2016-02, Vol.364, p.117-123

2016

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DFT studies on electrochemical properties of halide ions doped GDY-28 nanoflake for Na-ion battery applications

Copper-doped Al12N12 nano-cages: potential candidates for nonlinear optical materials

A Theoretical Perspective on Strategies for Modeling High Performance Nonlinear Optical Materials

Bioresorbable antibacterial PCL‐PLA‐nHA composite membranes for oral and maxillofacial defects

Assessment of alkali and alkaline earth metals doped cubanes as high-performance nonlinear optical materials by first-principles study

Characteristic Properties of Nanoclays and Characterization of Nanoparticulates and Nanocomposites

Anchoring the late first row transition metals with B12P12 nanocage to act as single atom catalysts toward oxygen evolution reaction (OER)

Significant nonlinear optical response of alkaline earth metals doped beryllium and magnesium oxide nanocages

A DFT investigation on theranostic potential of alkaline earth metal doped phosphorenes for ifosfamide anti-cancer drug

Diamondoid as potential nonlinear optical material by superalkali doping: A first principles study

Superalkali (Li2F, Li3F) doped Al12N12 electrides with enhanced static, dynamic nonlinear optical responses and refractive indices

Mechanistic enhanced cell voltage based on halides doped metal oxide fullerenes for use in Li-ion batteries: Insights from DFT intuition

Electrochemical sensing of heptazine graphitic C3N4 quantum dot for chemical warfare agents; a quantum chemical approach

First example of lanthanum as dopant on Al12N12 and Al12P12 nanocages for improved electronic and nonlinear optical properties with high stability

Nonlinear optical (NLO) response of boron phosphide nanosheet by alkali metals doping: A DFT study

Eco-friendly synthesis of mesoporous bioactive glass ceramics and functionalization for drug delivery and hard tissue engineering applications

Shedding light on the second order nonlinear optical responses of commercially available acidic azo dyes for laser applications

Superhalogen doping of aromatic heterocycles; effective approach for the enhancement of static and dynamic NLO response

Electrochemical properties of lithium metal doped C60 fullerene for battery applications

Boron-rich triphenylene COF based electrides having excellent nonlinear optical activity

A Rational Design of Alkali Metal-Doped Germanium Carbide Nanoclusters for High Nonlinear Optical Response and Ultraviolet Transparency

First-principles study for electrochemical sensing of neurotoxin hydrazine derivatives via h-g-C3N4 quantum dot

Novel microporous B6N6 covalent organic framework (COF) as an electrochemical sensor for the ultra-selective detection of nitroaniline isomers; a DFT outcome

Static, dynamic nonlinear optical (NLO) response and electride characteristics of superalkalis doped star like C6S6Li6

In situ synthesis of mesoporous polyvinyl alcohol/hydroxyapatite composites for better biomedical coating adhesion

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