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Unraveling the Intrinsic Biocidal Activity of the SiO2–Ag Composite against SARS-CoV-2: A Joint Experimental and Theoretical Study

ACS applied materials & interfaces, 2023-02, Vol.15 (5), p.6548-6560

2023

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Unconventional Disorder by Femtosecond Laser Irradiation in Fe2O3

ACS omega, 2021-10, Vol.6 (42), p.28049-28062

2021

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Effect of the Cross-Section Morphology in the Antimicrobial Properties of α-Ag2WO4 Rods: An Experimental and Theoretical Study

Applied nano, 2023-07, Vol.4 (3), p.213-225

2023

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Unraveling the Intrinsic Biocidal Activity of the SiO 2 -Ag Composite against SARS-CoV-2: A Joint Experimental and Theoretical Study

ACS applied materials & interfaces, 2023-02, Vol.15 (5), p.6548-6560

2023

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Structural, electronic, vibrational and magnetic properties of Zn2+ substituted MnCr2O4 nanoparticles

Journal of magnetism and magnetic materials, 2020-05, Vol.502, p.166595, Article 166595

2020

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Temperature dependence on phase evolution in the BaTiO3 polytypes studied using ab initio calculations

International journal of quantum chemistry, 2020-01, Vol.120 (1), p.n/a

2020

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First principle investigation of the exposed surfaces and morphology of β-ZnMoO4

Journal of applied physics, 2019-12, Vol.126 (23)

2019

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Quantum mechanical modeling of Zn‐based spinel oxides: Assessing the structural, vibrational, and electronic properties

International journal of quantum chemistry, 2020-11, Vol.120 (22), p.n/a

2020

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Atomistic Perspective on the Intrinsic White-Light Photoluminescence of Rare-Earth Free MgMoO4 Nanoparticles

Crystal growth & design, 2020-10, Vol.20 (10), p.6592-6603

2020

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Neutron diffraction studies of Fe-substituted Mn2O3

Indian journal of physics, 2023-08, Vol.97 (9), p.2721-2725

2023

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Enhancing hydrothermal formation of α-MnO2 nanoneedles over nanographite structures obtained by electrochemical exfoliation

Bulletin of materials science, 2021-12, Vol.44 (1), p.62, Article 62

2021

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Theoretical investigations of the bulk modulus in the tetra-cubic transition of PbTiO3 material

Química Nova, 2014, Vol.37 (7), p.1165-1170

2014

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Magnetism and multiferroic properties at MnTiO3 surfaces: A DFT study

Applied surface science, 2018-09, Vol.452, p.463-472

2018

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Band-Gap Engineering for Photocatalytic Applications: Anionic and Cationic Doping of TiO 2 Anatase

Current physical chemistry, 2016-03, Vol.6 (1), p.22-27

2016

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Unveiling the shape-selective CoCr2-yScyO4 nanomagnetism

Applied surface science, 2022-02, Vol.574, p.151555, Article 151555

2022

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Bismuth-doping Induced Enhanced Humidity Sensing Properties of Spinel NiFe2O4 Nanoparticles

Sensors and actuators. B, Chemical, 2025-01, Vol.422, p.136645, Article 136645

2025

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Bridging experiment and theory: Morphology, optical, electronic, and magnetic properties of MnWO4

Applied surface science, 2022-10, Vol.600, p.154081, Article 154081

2022

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A high-speed method to obtain Ni-Zn ferrite nanoparticles by microwave hydrotalcite decomposition for magnetic applications

Journal of alloys and compounds, 2024-11, Vol.1004, p.175846, Article 175846

2024

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Hematite rhombuses for chemiresitive ozone sensors: Experimental and theoretical approaches

Applied surface science, 2021-10, Vol.563, p.150209, Article 150209

2021

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Magnetism and DFT calculations for understanding magnetic ground state of Fe doped Mn2O3

Journal of alloys and compounds, 2021-04, Vol.861, p.158567, Article 158567

2021

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First-principles study on the stability, electronic structure, and band alignment of AgNbO3 surfaces: Understanding the adsorption process of H2O and O2

Computational materials science, 2025-01, Vol.246, p.113398, Article 113398

2025

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Experimental and theoretical interpretation of magnetic ground state of FeMnO3

Journal of alloys and compounds, 2019-02, Vol.774, p.290-298

2019

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Synthesis of lithium doped magnesium ferrites and their vibrational and magnetic properties: Correlation of experimental and density functional theory

Ceramics international, 2024-06, Vol.50 (12), p.21242-21252

2024

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SnS2 and Ho-doped SnS2 thin films: Synergistic, DFT, photocatalytic, and antibacterial studies

Ceramics international, 2024-10, Vol.50 (20), p.37868-37879

2024

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Presence of excited electronic states on terbium incorporation in CaMoO4: Insights from experimental synthesis and first-principles calculations

The Journal of physics and chemistry of solids, 2021-02, Vol.149, p.109790, Article 109790

2021

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Unraveling the Intrinsic Biocidal Activity of the SiO2–Ag Composite against SARS-CoV-2: A Joint Experimental and Theoretical Study

Unconventional Disorder by Femtosecond Laser Irradiation in Fe2O3

Effect of the Cross-Section Morphology in the Antimicrobial Properties of α-Ag2WO4 Rods: An Experimental and Theoretical Study

Unraveling the Intrinsic Biocidal Activity of the SiO 2 -Ag Composite against SARS-CoV-2: A Joint Experimental and Theoretical Study

Structural, electronic, vibrational and magnetic properties of Zn2+ substituted MnCr2O4 nanoparticles

Temperature dependence on phase evolution in the BaTiO3 polytypes studied using ab initio calculations

First principle investigation of the exposed surfaces and morphology of β-ZnMoO4

Quantum mechanical modeling of Zn‐based spinel oxides: Assessing the structural, vibrational, and electronic properties

Atomistic Perspective on the Intrinsic White-Light Photoluminescence of Rare-Earth Free MgMoO4 Nanoparticles

Neutron diffraction studies of Fe-substituted Mn2O3

Enhancing hydrothermal formation of α-MnO2 nanoneedles over nanographite structures obtained by electrochemical exfoliation

Theoretical investigations of the bulk modulus in the tetra-cubic transition of PbTiO3 material

Magnetism and multiferroic properties at MnTiO3 surfaces: A DFT study

Band-Gap Engineering for Photocatalytic Applications: Anionic and Cationic Doping of TiO 2 Anatase

Unveiling the shape-selective CoCr2-yScyO4 nanomagnetism

Bismuth-doping Induced Enhanced Humidity Sensing Properties of Spinel NiFe2O4 Nanoparticles

Bridging experiment and theory: Morphology, optical, electronic, and magnetic properties of MnWO4

A high-speed method to obtain Ni-Zn ferrite nanoparticles by microwave hydrotalcite decomposition for magnetic applications

Hematite rhombuses for chemiresitive ozone sensors: Experimental and theoretical approaches

Magnetism and DFT calculations for understanding magnetic ground state of Fe doped Mn2O3

First-principles study on the stability, electronic structure, and band alignment of AgNbO3 surfaces: Understanding the adsorption process of H2O and O2

Experimental and theoretical interpretation of magnetic ground state of FeMnO3

Synthesis of lithium doped magnesium ferrites and their vibrational and magnetic properties: Correlation of experimental and density functional theory

SnS2 and Ho-doped SnS2 thin films: Synergistic, DFT, photocatalytic, and antibacterial studies

Presence of excited electronic states on terbium incorporation in CaMoO4: Insights from experimental synthesis and first-principles calculations

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