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Color Centers in BaFBr Crystals: Experimental Study and Theoretical Modeling

Materials, 2024-07, Vol.17 (13), p.3340

2024

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Positron Annihilation Lifetime Spectroscopy Insight on Free Volume Conversion of Nanostructured MgAl2O4 Ceramics

Nanomaterials (Basel, Switzerland), 2021-12, Vol.11 (12), p.3373

2021

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Excited States Calculations of MoS2@ZnO and WS2@ZnO Two-Dimensional Nanocomposites for Water-Splitting Applications

Energies (Basel), 2022-01, Vol.15 (1), p.150

2022

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Ab Initio Modeling of CuGa1−xInxS2, CuGaS2(1−x)Se2x and Ag1−xCuxGaS2 Chalcopyrite Solid Solutions for Photovoltaic Applications

Energies (Basel), 2023-06, Vol.16 (12), p.4823

2023

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Electronic Structure of Mg-, Si-, and Zn-Doped SnO2 Nanowires: Predictions from First Principles

Materials, 2024-05, Vol.17 (10), p.2193

2024

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Electronic and Optical Properties of Rocksalt Mg1−xZnxO and Wurtzite Zn1−xMgxO with Varied Concentrations of Magnesium and Zinc

Materials, 2022-11, Vol.15 (21), p.7689

2022

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Electronic, Optical, and Vibrational Properties of an AgAlS2 Crystal in a High-Pressure Phase

Materials, 2023-11, Vol.16 (21), p.7017

2023

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2D slab models of TiO2 nanotubes for simulation of water adsorption: Validation over a diameter range

Results in physics, 2020-12, Vol.19, p.103527, Article 103527

2020

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2D Slab Models of Nanotubes Based on Tetragonal TiO2 Structures: Validation over a Diameter Range

Nanomaterials (Basel, Switzerland), 2021-07, Vol.11 (8), p.1925

2021

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Electron Beam-Assisted Synthesis of YAG:Ce Ceramics

Materials, 2023-05, Vol.16 (11), p.4102

2023

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N-Graphene Sheet Stacks/Cu Electrocatalyst for CO2 Reduction to Ethylene

Electrochem (Basel, Switzerland), 2022-05, Vol.3 (2), p.229-238

2022

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Systematic Trends in Hybrid-DFT Computations of BaTiO3/SrTiO3, PbTiO3/SrTiO3 and PbZrO3/SrZrO3 (001) Hetero Structures

Condensed matter, 2022-12, Vol.7 (4), p.70

2022

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CO2 and CH2 Adsorption on Copper-Decorated Graphene: Predictions from First Principle Calculations

Crystals (Basel), 2022-02, Vol.12 (2), p.194

2022

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Excited State Calculations of Cu-Doped Anatase TiO2 (101) and (001) Nanofilms

Crystals (Basel), 2024-03, Vol.14 (3), p.247

2024

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Influence of Au, Ag, and Cu Adatoms on Optical Properties of TiO2 (110) Surface: Predictions from RT-TDDFT Calculations

Crystals (Basel), 2022-04, Vol.12 (4), p.452

2022

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Improvement of Heat Dissipation in Ag/Ni Substrates for Testing Cu-TiO2/TiO2-Modified Filters Using SERS Spectroscopy

Crystals (Basel), 2023-04, Vol.13 (5), p.749

2023

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First-principles calculations on Fe-Pt nanoclusters of various morphologies

Scientific reports, 2017-09, Vol.7 (1), p.10579-10579, Article 10579

2017

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Influence of Stress on Electronic and Optical Properties of Rocksalt and Wurtzite MgO-ZnO Nanocomposites with Varying Concentrations of Magnesium and Zinc

Nanomaterials (Basel, Switzerland), 2022-09, Vol.12 (19), p.3408

2022

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Chlorine Adsorption on TiO2(110)/Water Interface: Nonadiabatic Molecular Dynamics Simulations for Photocatalytic Water Splitting

Electronic materials (Basel), 2023-03, Vol.4 (1), p.33-48

2023

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Time-Dependent Density Functional Theory Calculations of N- and S-Doped TiO2 Nanotube for Water-Splitting Applications

Nanomaterials (Basel, Switzerland), 2021-10, Vol.11 (11), p.2900

2021

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First-Principles Evaluation of the Morphology of WS2 Nanotubes for Application as Visible-Light-Driven Water-Splitting Photocatalysts

ACS omega, 2019-01, Vol.4 (1), p.1434-1442

2019

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First principles hybrid DFT calculations of BaTiO3/SrTiO3(001) interface

Solid state ionics, 2015-06, Vol.274, p.29-33

2015

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Symmetry and models of single-walled TiO2 nanotubes with rectangular morphology

Central European journal of physics, 2011-04, Vol.9 (2), p.492-501

2011

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Fast-Response Single-Nanowire Photodetector Based on ZnO/WS2 Core/Shell Heterostructures

ACS applied materials & interfaces, 2018-04, Vol.10 (16), p.13869-13876

2018

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Density functional theory for doped TiO2: current research strategies and advancements

Nanotechnology, 2024-05, Vol.35 (19)

2024

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Color Centers in BaFBr Crystals: Experimental Study and Theoretical Modeling

Positron Annihilation Lifetime Spectroscopy Insight on Free Volume Conversion of Nanostructured MgAl2O4 Ceramics

Excited States Calculations of MoS2@ZnO and WS2@ZnO Two-Dimensional Nanocomposites for Water-Splitting Applications

Ab Initio Modeling of CuGa1−xInxS2, CuGaS2(1−x)Se2x and Ag1−xCuxGaS2 Chalcopyrite Solid Solutions for Photovoltaic Applications

Electronic Structure of Mg-, Si-, and Zn-Doped SnO2 Nanowires: Predictions from First Principles

Electronic and Optical Properties of Rocksalt Mg1−xZnxO and Wurtzite Zn1−xMgxO with Varied Concentrations of Magnesium and Zinc

Electronic, Optical, and Vibrational Properties of an AgAlS2 Crystal in a High-Pressure Phase

2D slab models of TiO2 nanotubes for simulation of water adsorption: Validation over a diameter range

2D Slab Models of Nanotubes Based on Tetragonal TiO2 Structures: Validation over a Diameter Range

Electron Beam-Assisted Synthesis of YAG:Ce Ceramics

N-Graphene Sheet Stacks/Cu Electrocatalyst for CO2 Reduction to Ethylene

Systematic Trends in Hybrid-DFT Computations of BaTiO3/SrTiO3, PbTiO3/SrTiO3 and PbZrO3/SrZrO3 (001) Hetero Structures

CO2 and CH2 Adsorption on Copper-Decorated Graphene: Predictions from First Principle Calculations

Excited State Calculations of Cu-Doped Anatase TiO2 (101) and (001) Nanofilms

Influence of Au, Ag, and Cu Adatoms on Optical Properties of TiO2 (110) Surface: Predictions from RT-TDDFT Calculations

Improvement of Heat Dissipation in Ag/Ni Substrates for Testing Cu-TiO2/TiO2-Modified Filters Using SERS Spectroscopy

First-principles calculations on Fe-Pt nanoclusters of various morphologies

Influence of Stress on Electronic and Optical Properties of Rocksalt and Wurtzite MgO-ZnO Nanocomposites with Varying Concentrations of Magnesium and Zinc

Chlorine Adsorption on TiO2(110)/Water Interface: Nonadiabatic Molecular Dynamics Simulations for Photocatalytic Water Splitting

Time-Dependent Density Functional Theory Calculations of N- and S-Doped TiO2 Nanotube for Water-Splitting Applications

First-Principles Evaluation of the Morphology of WS2 Nanotubes for Application as Visible-Light-Driven Water-Splitting Photocatalysts

First principles hybrid DFT calculations of BaTiO3/SrTiO3(001) interface

Symmetry and models of single-walled TiO2 nanotubes with rectangular morphology

Fast-Response Single-Nanowire Photodetector Based on ZnO/WS2 Core/Shell Heterostructures

Density functional theory for doped TiO2: current research strategies and advancements

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