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Iron and oxygen vacancies at the hematite surface: pristine case and with a chlorine adatom
Physical chemistry chemical physics : PCCP, 2020-11, Vol.22 (43), p.2538-25389
2020
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Surface Fe vacancy defects on haematite and their role in light-induced water splitting in artificial photosynthesis
Physical chemistry chemical physics : PCCP, 2017, Vol.19 (46), p.31410-31417
2017
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Ab initio atomistic description of temperature-induced phase changes: The cases of zirconia and Ti-Y-co-doped zirconia
Physical review materials, 2021-02, Vol.5 (2), Article 023603
2021
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Crystal structure determination and DFT analysis of doxorubicin hydrochloride for controlled-release drug formulations
Journal of molecular structure, 2023-12, Vol.1294, p.136412, Article 136412
2023
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Phase transitions in CsPbBr: evaluating perovskite behavior over different time scales
Materials advances, 2024-07, Vol.5 (14), p.5794-581
2024
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Phase transitions in CsPbBr 3 : evaluating perovskite behavior over different time scales
Materials advances, 2024-07, Vol.5 (14), p.5794-5801
2024
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CO2 Reduction beyond Copper-Based Catalysts: A Natural Language Processing Review from the Scientific Literature
ACS sustainable chemistry & engineering, 2024-03, Vol.12 (11), p.4411-4422
2024
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CO 2 Reduction beyond Copper-Based Catalysts: A Natural Language Processing Review from the Scientific Literature
ACS sustainable chemistry & engineering, 2024-03, Vol.12 (11), p.4411-4422
2024
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Ab Initio Simulations and Materials Chemistry in the Age of Big Data
Journal of chemical information and modeling, 2020-02, Vol.60 (2), p.452-459
2020
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Possible Charge-Transfer-Induced Conductivity Enhancement in TiO2 Microtubes Decorated with Perovskite CsPbBr3 Nanocrystals
Langmuir, 2020-05, Vol.36 (19), p.5408-5416
2020
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High temperature activation of hematite nanorods for sunlight driven water oxidation reaction
Physical chemistry chemical physics : PCCP, 2017, Vol.19 (36), p.25025-25032
2017
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Possible Charge-Transfer-Induced Conductivity Enhancement in TiO 2 Microtubes Decorated with Perovskite CsPbBr 3 Nanocrystals
Langmuir, 2020-05, Vol.36 (19), p.5408-5416
2020
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Surface Fe vacancy defects on haematite and their role in light-induced water splitting in artificial photosynthesisElectronic supplementary information (ESI) available: Charge density difference showing the localization of the extra electrons. Bulk structures considered for the evaluation of the Fe chemical potential under oxygen rich/poor conditions. PDOS at the neutral charge state for selected minima. Additional computational details for the phonon calculation. See DOI: 10.1039/c7cp06558b
2017-11
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High temperature activation of hematite nanorods for sunlight driven water oxidation reactionElectronic supplementary information (ESI) available: Picture of the as-prepared films at different synthesis times before and after the annealing process, structural parameters determined from XRD data summarized in tables and incident photon to current efficiency, optical measurements, and IPCE curves for the active films. See DOI: 10.1039/c7cp04827k
2017-09
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Finite-Size Effects on Cs 3 Cu 2 I 5 0D Electronic Nanostructures for Ultraviolet-Emitting Applications
ACS applied nano materials, 2023-05, Vol.6 (9), p.7196-7205
2023
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Finite-Size Effects on Cs3Cu2I5 0D Electronic Nanostructures for Ultraviolet-Emitting Applications
ACS applied nano materials, 2023-05, Vol.6 (9), p.7196-7205
2023
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Spins in Semiconductor Nanocrystals
Handbook of Materials Modeling, p.605-616
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Ordered vacancy compounds: the case of the Mangéli phases of TiO2
Metal Oxide Defects, 2022
2022
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Poster: Memristive Systems
Frontiers in Electronic Materials, 2012, p.523-587
2012
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Da concepção à implantação da pós-graduação na UFABC: o Programa em Nanociências e Materiais Avançados
Revista brasileira de pós-graduação : RBPG, 2011-03, Vol.8 (15)
2011
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From the conception to the implantation of graduate study at UFABC: The Program in Nanosciences and Advanced Materials/ Da concepcao a implantacao da pos-graduacao na UFABC: o Programa em Nanociencias e Materiais Avancados/ De la concepción a la implementación del posgrado en la UFABC: el Programa en Nanociencia y Materiales Avanzados
Revista brasileira de pós-graduação : RBPG, 2011-03, Vol.8 (15), p.206
2011
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