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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.
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- Nanomaterials (2079-4991), 2022, v. 12, n. 19, p. 3408, doi. 10.3390/nano12193408
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Positron Annihilation Lifetime Spectroscopy Insight on Free Volume Conversion of Nanostructured MgAl 2 O 4 Ceramics.
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- Nanomaterials (2079-4991), 2021, v. 11, n. 12, p. 3373, doi. 10.3390/nano11123373
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Time-Dependent Density Functional Theory Calculations of N- and S-Doped TiO 2 Nanotube for Water-Splitting Applications.
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- Nanomaterials (2079-4991), 2021, v. 11, n. 11, p. 2900, doi. 10.3390/nano11112900
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2D Slab Models of Nanotubes Based on Tetragonal TiO 2 Structures: Validation over a Diameter Range.
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- Nanomaterials (2079-4991), 2021, v. 11, n. 8, p. 1925, doi. 10.3390/nano11081925
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- Article
Ab Initio Calculations on the Electronic Structure and Photocatalytic Properties of Two‐Dimensional WS<sub>2</sub> (0001) Nanolayers of Varying Thickness.
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- Physica Status Solidi - Rapid Research Letters, 2019, v. 13, n. 1, p. N.PAG, doi. 10.1002/pssr.201800253
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Chlorine Adsorption on TiO 2 (110)/Water Interface: Nonadiabatic Molecular Dynamics Simulations for Photocatalytic Water Splitting.
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- Electronic Materials, 2023, v. 4, n. 1, p. 33, doi. 10.3390/electronicmat4010004
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N-Graphene Sheet Stacks/Cu Electrocatalyst for CO 2 Reduction to Ethylene.
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- Electrochem, 2022, v. 3, n. 2, p. 229, doi. 10.3390/electrochem3020015
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- Article
Color Centers in BaFBr Crystals: Experimental Study and Theoretical Modeling.
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- Materials (1996-1944), 2024, v. 17, n. 13, p. 3340, doi. 10.3390/ma17133340
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- Article
Electronic Structure of Mg-, Si-, and Zn-Doped SnO 2 Nanowires: Predictions from First Principles.
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- Materials (1996-1944), 2024, v. 17, n. 10, p. 2193, doi. 10.3390/ma17102193
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- Article
Electronic, Optical, and Vibrational Properties of an AgAlS 2 Crystal in a High-Pressure Phase.
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- Materials (1996-1944), 2023, v. 16, n. 21, p. 7017, doi. 10.3390/ma16217017
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- Article
Electron Beam-Assisted Synthesis of YAG:Ce Ceramics.
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- Materials (1996-1944), 2023, v. 16, n. 11, p. 4102, doi. 10.3390/ma16114102
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- Article
Electronic and Optical Properties of Rocksalt Mg 1−x Zn x O and Wurtzite Zn 1−x Mg x O with Varied Concentrations of Magnesium and Zinc.
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- Materials (1996-1944), 2022, v. 15, n. 21, p. 7689, doi. 10.3390/ma15217689
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- Article
First Principles Calculations of Atomic and Electronic Structure of Ti Al 3 + - and Ti Al 2 + -Doped YAlO 3.
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- Materials (1996-1944), 2021, v. 14, n. 19, p. 5589, doi. 10.3390/ma14195589
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Excited State Calculations of Cu-Doped Anatase TiO 2 (101) and (001) Nanofilms.
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- Crystals (2073-4352), 2024, v. 14, n. 3, p. 247, doi. 10.3390/cryst14030247
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Improvement of Heat Dissipation in Ag/Ni Substrates for Testing Cu-TiO 2 /TiO 2 -Modified Filters Using SERS Spectroscopy.
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- Crystals (2073-4352), 2023, v. 13, n. 5, p. 749, doi. 10.3390/cryst13050749
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Influence of Au, Ag, and Cu Adatoms on Optical Properties of TiO 2 (110) Surface: Predictions from RT-TDDFT Calculations.
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- Crystals (2073-4352), 2022, v. 12, n. 4, p. 452, doi. 10.3390/cryst12040452
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Theoretical and Experimental Studies of Charge Ordering in CaFeO<sub>3</sub> and SrFeO<sub>3</sub> Crystals.
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- Physica Status Solidi (B), 2022, v. 259, n. 1, p. 1, doi. 10.1002/pssb.202100238
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Quantum chemical simulations of doped ZnO nanowires for photocatalytic hydrogen generation.
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- Physica Status Solidi (B), 2016, v. 253, n. 11, p. 2120, doi. 10.1002/pssb.201600452
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First-principles calculations of point defects in inorganic nanotubes.
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- Physica Status Solidi (B), 2013, v. 250, n. 4, p. 793, doi. 10.1002/pssb.201200817
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Ab Initio Modeling of CuGa 1−x In x S 2 , CuGaS 2(1−x) Se 2x and Ag 1−x Cu x GaS 2 Chalcopyrite Solid Solutions for Photovoltaic Applications.
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- Energies (19961073), 2023, v. 16, n. 12, p. 4823, doi. 10.3390/en16124823
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Excited States Calculations of MoS 2 @ZnO and WS 2 @ZnO Two-Dimensional Nanocomposites for Water-Splitting Applications.
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- Energies (19961073), 2022, v. 15, n. 1, p. 150, doi. 10.3390/en15010150
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Systematic Trends in Hybrid-DFT Computations of BaTiO 3 /SrTiO 3 , PbTiO 3 /SrTiO 3 and PbZrO 3 /SrZrO 3 (001) Hetero Structures.
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- Condensed Matter, 2022, v. 7, n. 4, p. 70, doi. 10.3390/condmat7040070
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