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Synthesis and Investigation of ReSe 2 Thin Films Obtained from Magnetron Sputtered Re and ReO x.
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- Crystals (2073-4352), 2024, v. 14, n. 8, p. 690, doi. 10.3390/cryst14080690
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- Article
Water Splitting on Multifaceted SrTiO 3 Nanocrystals: Computational Study.
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- Catalysts (2073-4344), 2021, v. 11, n. 11, p. 1326, doi. 10.3390/catal11111326
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- Article
Ab Initio Computations of O and AO as well as ReO 2 , WO 2 and BO 2 -Terminated ReO 3 , WO 3 , BaTiO 3 , SrTiO 3 and BaZrO 3 (001) Surfaces.
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- Symmetry (20738994), 2022, v. 14, n. 5, p. 1050, doi. 10.3390/sym14051050
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- Article
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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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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- Article
Synthesis of ZnS/Al 2 O 3 /TaSe 2 Core/Shell Nanowires Using Thin Ta Metal Film Precursor.
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- ChemEngineering, 2024, v. 8, n. 1, p. 25, doi. 10.3390/chemengineering8010025
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- Article
First Principles Calculations of Hydrogen Evolution Reaction and Proton Migration on Stepped Surfaces of SrTiO<sub>3</sub>.
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- Advanced Theory & Simulations, 2023, v. 6, n. 10, p. 1, doi. 10.1002/adts.202200619
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- Article
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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- Article
Ultraviolet Exposure Improves SERS Activity of Graphene-Coated Ag/ZrO 2 Substrates.
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- Crystals (2073-4352), 2023, v. 13, n. 11, p. 1570, doi. 10.3390/cryst13111570
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- Article
Review of First Principles Simulations of STO/BTO, STO/PTO, and SZO/PZO (001) Heterostructures.
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- Crystals (2073-4352), 2023, v. 13, n. 5, p. 799, doi. 10.3390/cryst13050799
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- Article
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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- Article
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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- Article
Study of High-Temperature Behaviour of ZnO by Ab Initio Molecular Dynamics Simulations and X-ray Absorption Spectroscopy.
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- Materials (1996-1944), 2021, v. 14, n. 18, p. 5206, doi. 10.3390/ma14185206
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- Article
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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- Article
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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- Article
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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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