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A theoretical and experimental investigation of Eu-doped ZnO nanorods and its application on dye sensitized solar cells

Journal of alloys and compounds, 2018-03, Vol.739, p.939-947

2018

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A DFT Study of Structural and Electronic Properties of ZnS Polymorphs and its Pressure-Induced Phase Transitions

Journal of the American Ceramic Society, 2014-12, Vol.97 (12), p.4011-4018

2014

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DFT Study on Ce-Doped Anatase TiO2: Nature of Ce3+ and Ti3+ Centers Triggered by Oxygen Vacancy Formation

Journal of physical chemistry. C, 2014-05, Vol.118 (18), p.9677-9689

2014

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Structural and optical properties of CaTiO3 perovskite-based materials obtained by microwave-assisted hydrothermal synthesis: An experimental and theoretical insight

Acta materialia, 2009-10, Vol.57 (17), p.5174-5185

2009

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Modeling of BN-Doped Carbon Nanotube as High-Performance Thermoelectric Materials

Nanomaterials (Basel, Switzerland), 2022-12, Vol.12 (23), p.4343

2022

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Enhanced Photocatalytic and Photoluminescence Properties Resulting from Type-I Band Alignment in the Zn2GeO4/g-C3N4 Nanocomposites

Catalysts, 2022-07, Vol.12 (7), p.692

2022

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Photocatalytic activity of semiconductor sulfide heterostructures

Dalton transactions : an international journal of inorganic chemistry, 2013-08, Vol.42 (31), p.11111-11116

2013

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Laser/Electron Irradiation on Indium Phosphide (InP) Semiconductor: Promising Pathways to In Situ Formation of Indium Nanoparticles

Particle & particle systems characterization, 2018-11, Vol.35 (11), p.n/a

2018

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Quantitative evaluation of the surface stability and morphological changes of Cu2O particles

Heliyon, 2019-10, Vol.5 (10), p.e02500-e02500, Article e02500

2019

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Piezoelectricity induced by gaseous molecules adsorbed on ZnO nanotubes

Materials science & engineering. B, Solid-state materials for advanced technology, 2022-07, Vol.281, p.115729, Article 115729

2022

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Covalent functionalization of germanene employing computational simulations

Physical chemistry chemical physics : PCCP, 2024-05, Vol.26 (17), p.1314-13151

2024

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Piezoelectric Response of Porous Nanotubes Derived from Hexagonal Boron Nitride under Strain Influence

ACS omega, 2018-10, Vol.3 (10), p.13413-13421

2018

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Adsorption of NH3 with Different Coverages on Single-Walled ZnO Nanotube: DFT and QTAIM Study

Journal of physical chemistry. C, 2017-04, Vol.121 (14), p.8109-8119

2017

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Structural, Electronic, Vibrational, and Topological Analysis of Single-Walled Zinc Oxide Nanotubes

Journal of physical chemistry. C, 2016-03, Vol.120 (12), p.6814-6823

2016

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Theoretical Characterization of Germanene Doped with Main Group Elements

Chemphyschem, 2024-06, Vol.25 (12), p.e202400139-n/a

2024

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Modeling the atomic-scale structure, stability, and morphological transformations in the tetragonal phase of LaVO4

Chemical physics letters, 2016-09, Vol.660, p.87-92

2016

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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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TopIso3D Viewer: Enhancing Topological Analysis through 3D Isosurfaces

Journal of chemical information and modeling, 2023-04, Vol.63 (7), p.1999-2013

2023

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Novel Janus gamma-Pb2XY monolayers with high thermoelectric performance X=S, Se and Y=Se, Te X≠Y

Scientific reports, 2024-07, Vol.14 (1), p.16648

2024

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Theoretical Study of the Stoichiometric and Reduced Ce-Doped TiO2 Anatase (001) Surfaces

Journal of physical chemistry. C, 2015-03, Vol.119 (9), p.4805-4816

2015

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Ag doping effect on electronic and thermoelectric properties of SrTiO3 (001) surface

Computational materials science, 2023-08, Vol.227, p.112274, Article 112274

2023

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New two-dimensional zinc oxide nanosheets: Properties, stability, and interconversion

Materials letters, 2020-09, Vol.275, p.128067, Article 128067

2020

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Structural, electronic and mechanical properties of single-walled AlN and GaN nanotubes via DFT/B3LYP

Theoretical chemistry accounts, 2019-02, Vol.138 (2), p.1-11, Article 31

2019

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Probing the Site-Selective Doping in SrSnO3:Eu Oxides and Its Impact on the Crystal and Electronic Structures Using Synchrotron Radiation and DFT Simulations

Inorganic chemistry, 2020-06, Vol.59 (11), p.7666-7680

2020

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A promising nanoporous AlxGa(1-x)N nanosheet based on octagraphene

Materials letters, 2021-02, Vol.284, p.1, Article 128916

2021

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A theoretical and experimental investigation of Eu-doped ZnO nanorods and its application on dye sensitized solar cells

A DFT Study of Structural and Electronic Properties of ZnS Polymorphs and its Pressure-Induced Phase Transitions

DFT Study on Ce-Doped Anatase TiO2: Nature of Ce3+ and Ti3+ Centers Triggered by Oxygen Vacancy Formation

Structural and optical properties of CaTiO3 perovskite-based materials obtained by microwave-assisted hydrothermal synthesis: An experimental and theoretical insight

Modeling of BN-Doped Carbon Nanotube as High-Performance Thermoelectric Materials

Enhanced Photocatalytic and Photoluminescence Properties Resulting from Type-I Band Alignment in the Zn2GeO4/g-C3N4 Nanocomposites

Photocatalytic activity of semiconductor sulfide heterostructures

Laser/Electron Irradiation on Indium Phosphide (InP) Semiconductor: Promising Pathways to In Situ Formation of Indium Nanoparticles

Quantitative evaluation of the surface stability and morphological changes of Cu2O particles

Piezoelectricity induced by gaseous molecules adsorbed on ZnO nanotubes

Covalent functionalization of germanene employing computational simulations

Piezoelectric Response of Porous Nanotubes Derived from Hexagonal Boron Nitride under Strain Influence

Adsorption of NH3 with Different Coverages on Single-Walled ZnO Nanotube: DFT and QTAIM Study

Structural, Electronic, Vibrational, and Topological Analysis of Single-Walled Zinc Oxide Nanotubes

Theoretical Characterization of Germanene Doped with Main Group Elements

Modeling the atomic-scale structure, stability, and morphological transformations in the tetragonal phase of LaVO4

Unconventional Disorder by Femtosecond Laser Irradiation in Fe2O3

TopIso3D Viewer: Enhancing Topological Analysis through 3D Isosurfaces

Novel Janus gamma-Pb2XY monolayers with high thermoelectric performance X=S, Se and Y=Se, Te X≠Y

Theoretical Study of the Stoichiometric and Reduced Ce-Doped TiO2 Anatase (001) Surfaces

Ag doping effect on electronic and thermoelectric properties of SrTiO3 (001) surface

New two-dimensional zinc oxide nanosheets: Properties, stability, and interconversion

Structural, electronic and mechanical properties of single-walled AlN and GaN nanotubes via DFT/B3LYP

Probing the Site-Selective Doping in SrSnO3:Eu Oxides and Its Impact on the Crystal and Electronic Structures Using Synchrotron Radiation and DFT Simulations

A promising nanoporous AlxGa(1-x)N nanosheet based on octagraphene

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