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Using the bond valence sum model to calculate Li-diffusion pathways in Silicene with MgX<sub>2</sub> (X=Cl, Br, I) substrates.
- Published in:
- Modern Physics Letters B, 2024, v. 38, n. 20, p. 1, doi. 10.1142/S0217984924501719
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Oxygen Self-Diffusion in Fluorite High Entropy Oxides.
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- Applied Sciences (2076-3417), 2024, v. 14, n. 12, p. 5309, doi. 10.3390/app14125309
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- Article
Halogen-doped SnO<sub>2</sub> for hydrogen production: A theoretical and experimental investigation.
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- Modern Physics Letters B, 2024, v. 38, n. 15, p. 1, doi. 10.1142/S0217984924501252
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- Article
Carbon-Isovalent Dopant Pairs in Silicon: A Density Functional Theory Study.
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- Applied Sciences (2076-3417), 2024, v. 14, n. 10, p. 4194, doi. 10.3390/app14104194
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Electronic and structural properties of B-, Ge-, Mo-, and W-doped anatase TiO<sub>2</sub>.
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- Modern Physics Letters B, 2024, v. 38, n. 12, p. 1, doi. 10.1142/S0217984924500842
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- Article
The Evolution of Solid Oxide Fuel Cell Materials.
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- Applied Sciences (2076-3417), 2024, v. 14, n. 1, p. 69, doi. 10.3390/app14010069
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Ambipolar surface conduction in oxygen sub-stoichiometric molybdenum oxide films.
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- Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-48060-1
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Vanadium and tantalum doping of tin dioxide: a theoretical study.
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- Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-47383-3
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- Article
Efficient and Stable Air-Processed Ternary Organic Solar Cells Incorporating Gallium-Porphyrin as an Electron Cascade Material.
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- Nanomaterials (2079-4991), 2023, v. 13, n. 20, p. 2800, doi. 10.3390/nano13202800
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- Article
Kinetics of Ions in Post-Lithium Batteries.
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- Applied Sciences (2076-3417), 2023, v. 13, n. 17, p. 9619, doi. 10.3390/app13179619
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- Article
Functionalized Graphene-Incorporated Cupric Oxide Charge-Transport Layer for Enhanced Photoelectrochemical Performance and Hydrogen Evolution.
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- Catalysts (2073-4344), 2023, v. 13, n. 4, p. 785, doi. 10.3390/catal13040785
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- Article
Temperature and Ambient Band Structure Changes in SnO 2 for the Optimization of Hydrogen Response.
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- Inorganics, 2023, v. 11, n. 3, p. 96, doi. 10.3390/inorganics11030096
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- Article
Optimization of the hydrogen response characteristics of halogen-doped SnO<sub>2</sub>.
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- Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-29312-6
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- Article
Carbon Nanodots as Electron Transport Materials in Organic Light Emitting Diodes and Solar Cells.
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- Nanomaterials (2079-4991), 2023, v. 13, n. 1, p. 169, doi. 10.3390/nano13010169
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- Article
Seventy-Five Years since the Point-Contact Transistor: Germanium Revisited.
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- Applied Sciences (2076-3417), 2022, v. 12, n. 23, p. 11993, doi. 10.3390/app122311993
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Modelling the Defect Processes of Materials for Energy Applications.
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- Applied Sciences (2076-3417), 2022, v. 12, n. 19, p. 9872, doi. 10.3390/app12199872
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- Article
Comparative Study of Oxygen- and Carbon-Related Defects in Electron Irradiated Cz–Si Doped with Isovalent Impurities.
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- Applied Sciences (2076-3417), 2022, v. 12, n. 16, p. N.PAG, doi. 10.3390/app12168151
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- Article
Ultrafast epitaxial growth of CuO nanowires using atmospheric pressure plasma with enhanced electrocatalytic and photocatalytic activities.
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- Nano Select, 2022, v. 3, n. 3, p. 627, doi. 10.1002/nano.202100191
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- Article
Defect Properties and Lithium Incorporation in Li 2 ZrO 3.
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- Energies (19961073), 2021, v. 14, n. 13, p. 3963, doi. 10.3390/en14133963
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- Article
Impact of boron and indium doping on the structural, electronic and optical properties of SnO2.
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- Scientific Reports, 2021, v. 11, n. 1, p. 1, doi. 10.1038/s41598-021-92450-2
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- Article
Ru-Doped Single Walled Carbon Nanotubes as Sensors for SO 2 and H 2 S Detection.
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- Chemosensors, 2021, v. 9, n. 6, p. 120, doi. 10.3390/chemosensors9060120
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- Article
Influence of Heterointerfaces on the Kinetics of Oxygen Surface Exchange on Epitaxial La 1.85 Sr 0.15 CuO 4 Thin Films.
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- Applied Sciences (2076-3417), 2021, v. 11, n. 9, p. 3778, doi. 10.3390/app11093778
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Battery Characterization via Eddy-Current Imaging with Nitrogen-Vacancy Centers in Diamond.
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- Applied Sciences (2076-3417), 2021, v. 11, n. 7, p. 3069, doi. 10.3390/app11073069
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Preparation of hydrogen, fluorine and chlorine doped and co-doped titanium dioxide photocatalysts: a theoretical and experimental approach.
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- Scientific Reports, 2021, v. 11, n. 1, p. 1, doi. 10.1038/s41598-021-81979-x
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- Article
Structural, Electronic, and Optical Properties of Group 6 Doped Anatase TiO 2 : A Theoretical Approach.
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- Applied Sciences (2076-3417), 2021, v. 11, n. 4, p. 1657, doi. 10.3390/app11041657
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- Article
Defect Processes in Halogen Doped SnO 2.
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- Applied Sciences (2076-3417), 2021, v. 11, n. 2, p. 551, doi. 10.3390/app11020551
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- Article
Self-diffusion in garnet-type Li7La3Zr2O12 solid electrolytes.
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- Scientific Reports, 2021, v. 11, n. 1, p. 1, doi. 10.1038/s41598-020-79919-2
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- Article
Robust Inorganic Hole Transport Materials for Organic and Perovskite Solar Cells: Insights into Materials Electronic Properties and Device Performance.
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- Solar RRL, 2021, v. 5, n. 1, p. 1, doi. 10.1002/solr.202000555
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- Article
Tuning the electronic properties of C12A7 via Sn doping and encapsulation.
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- Journal of Materials Science: Materials in Electronics, 2020, v. 31, n. 23, p. 21203, doi. 10.1007/s10854-020-04633-8
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- Article
The Interstitial Carbon–Dioxygen Center in Irradiated Silicon.
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- Crystals (2073-4352), 2020, v. 10, n. 11, p. 1005, doi. 10.3390/cryst10111005
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- Article
Defects, Diffusion and Dopants in Sillimanite.
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- Minerals (2075-163X), 2020, v. 10, n. 10, p. 857, doi. 10.3390/min10100857
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- Article
Mayenite Electrides and Their Doped Forms for Oxygen Reduction Reaction in Solid Oxide Fuel Cells.
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- Energies (19961073), 2020, v. 13, n. 18, p. 4978, doi. 10.3390/en13184978
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Structural, defect, transport and dopant properties of AgNbO<sub>3</sub>.
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- ChemNanoMat, 2020, v. 6, n. 9, p. 1337, doi. 10.1002/cnma.202000327
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- Article
Electronegativity and doping in Si1-xGex alloys.
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- Scientific Reports, 2020, v. 10, n. 1, p. 1, doi. 10.1038/s41598-020-64403-8
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Self-Diffusion in Perovskite and Perovskite Related Oxides: Insights from Modelling.
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- Applied Sciences (2076-3417), 2020, v. 10, n. 7, p. 2286, doi. 10.3390/app10072286
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- Article
Lithium Storage in Nanoporous Complex Oxide 12CaO•7Al2O3 (C12A7).
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- Energies (19961073), 2020, v. 13, n. 7, p. 1547, doi. 10.3390/en13071547
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Defects and Dopants in CaFeSi2O6: Classical and DFT Simulations.
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- Energies (19961073), 2020, v. 13, n. 5, p. 1285, doi. 10.3390/en13051285
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- Article
Defect processes in F and Cl doped anatase TiO2.
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- Scientific Reports, 2019, v. 9, n. 1, p. 1, doi. 10.1038/s41598-019-55518-8
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- Article
A Computational Study of Defects, Li-Ion Migration and Dopants in Li2ZnSiO4 Polymorphs.
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- Crystals (2073-4352), 2019, v. 9, n. 11, p. 563, doi. 10.3390/cryst9110563
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- Article
Defect Chemistry, Sodium Diffusion and Doping Behaviour in NaFeO2 Polymorphs as Cathode Materials for Na-Ion Batteries: A Computational Study.
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- Materials (1996-1944), 2019, v. 12, n. 19, p. 3243, doi. 10.3390/ma12193243
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- Article
Theoretical Modeling of Defects, Dopants, and Diffusion in the Mineral Ilmenite.
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- Minerals (2075-163X), 2019, v. 9, n. 10, p. 610, doi. 10.3390/min9100610
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- Article
Stability of Coinage Metals Interacting with C60.
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- Nanomaterials (2079-4991), 2019, v. 9, n. 10, p. 1484, doi. 10.3390/nano9101484
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- Article
The encapsulation selectivity for anionic fission products imparted by an electride.
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- Scientific Reports, 2019, v. 9, n. 1, p. N.PAG, doi. 10.1038/s41598-019-50089-0
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- Article
Defects, Diffusion, and Dopants in Li2Ti6O13: Atomistic Simulation Study.
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- Materials (1996-1944), 2019, v. 12, n. 18, p. 2851, doi. 10.3390/ma12182851
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- Article
Mg6MnO8 as a Magnesium-Ion Battery Material: Defects, Dopants and Mg-Ion Transport.
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- Energies (19961073), 2019, v. 12, n. 17, p. 3213, doi. 10.3390/en12173213
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- Article
Defect, Diffusion and Dopant Properties of NaNiO2: Atomistic Simulation Study.
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- Energies (19961073), 2019, v. 12, n. 16, p. 3094, doi. 10.3390/en12163094
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- Article
Impact of local composition on the energetics of E-centres in Si<sub>1−x</sub>Ge<sub>x</sub> alloys.
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- Scientific Reports, 2019, v. 9, n. 1, p. N.PAG, doi. 10.1038/s41598-019-47385-0
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- Article
Technetium Encapsulation by A Nanoporous Complex Oxide 12CaO•7Al2O3 (C12A7).
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- Nanomaterials (2079-4991), 2019, v. 9, n. 6, p. 816, doi. 10.3390/nano9060816
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- Article
Defect Chemistry and Na-Ion Diffusion in Na3Fe2(PO4)3 Cathode Material.
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- Materials (1996-1944), 2019, v. 12, n. 8, p. 1348, doi. 10.3390/ma12081348
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- Article
Defect Process, Dopant Behaviour and Li Ion Mobility in the Li2MnO3 Cathode Material.
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- Energies (19961073), 2019, v. 12, n. 7, p. 1329, doi. 10.3390/en12071329
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- Article