A5057671293- Catalytic Processes in Materials Science
- Zeolite Catalysis and Synthesis
- Mesoporous Materials and Catalysis
- Advanced Photocatalysis Techniques
- Catalysis and Hydrodesulfurization Studies
- Catalysis and Oxidation Reactions
- Catalysis for Biomass Conversion
- TiO2 Photocatalysis and Solar Cells
- Graphene research and applications
- Chemical Synthesis and Characterization
- Iron oxide chemistry and applications
- Nanomaterials for catalytic reactions
- Clay minerals and soil interactions
- Advancements in Battery Materials
- Adsorption and biosorption for pollutant removal
- Metal-Organic Frameworks: Synthesis and Applications
- Catalysts for Methane Reforming
- Electrocatalysts for Energy Conversion
- Chemistry and Chemical Engineering
- Layered Double Hydroxides Synthesis and Applications
- Gas Sensing Nanomaterials and Sensors
- Luminescence Properties of Advanced Materials
- Microwave Dielectric Ceramics Synthesis
- Radiopharmaceutical Chemistry and Applications
- Phosphorus and nutrient management
Universidade Federal da Bahia
2014-2024
Instituto Nacional de Ciência e Tecnologia de Doenças Tropicais
2018
Universidade Salvador
2014
Hospital Ana Nery
2014
Universidade Estadual de Campinas (UNICAMP)
2000-2005
In this work, ab initio density functional theory calculations were performed in order to study the structural and electronic properties of halogens (X = fluorine, chlorine, bromine or iodine) that deposited on both sides graphene single layers (X-graphene). The adsorption these atoms only one side layer with hydrogen adsorbed other was also considered (H,X-graphene). results indicate F-C bond F-graphene system causes an sp(2) sp(3) transition carbon orbitals, similar effects seem occur...
This work investigates, using first-principles calculations, electronic and structural properties of hydrogen, lithium, sodium, potassium rubidium that are adsorbed, in a regular pattern, on graphene surface. The results for H-graphene (graphane) Li-graphene were compared with previous calculations. present do not support claims the Li–C bond such layer would result an sp2 to sp3 transition carbon orbitals, being more compatible some ionic character covalent lithium acting as electron...
Copper ions on over-exchanged Cu−MCM-22 were monitored by CO and NO adsorption at 300 K 77 K. Two different species of both Cu(I) Cu(II) produced vacuum thermal treatment 823 CuI−CO complexes formed upon converted to CuI−(CO)2 increasing the pressure. adsorbed copper small oxide aggregates or in oligomeric cationic compounds was also found. Mononitrosylic CuI−NO (band 1813 cm-1) completely oxidized CuII−NO (absorptions 1899 1908 Nitro, nitrate, nitrito reaction with oxidic surface...
Magnetic mesoporous particles were synthesized and their magnetic structural properties are reported. The synthesis procedure consists of four steps: (i) preparation magnetite colloidal nanoparticles; (ii) growth a silica layer; (iii) development the structure (iv) template removal. Two different methods for removal studied effectiveness was discussed. Magnetization Mössbauer spectroscopy measurements showed superparamagnetic behavior at room temperature. X-ray diffraction nitrogen...
Nanosized BiTaO 4 and BiNbO were prepared by the citrate method. The electronic optical properties of have been investigated means photo‐acoustic spectroscopy (PAS), X‐ray photo‐electron (XPS), first‐principles calculations based on density functional theory. measured valence band (from XPS) both materials agreed well with theoretical findings. It was also found that calculated such as dynamical dielectric function absorption spectra are in good agreement experimental According to spectra,...
Abstract We present the optical absorption spectrum of BiTaO 4 using photo acoustic spectroscopy (PAS) technique and first principles approach. Band gap have been estimated 2.65 2.45 eV PAS method DFT calculations, respectively. Position reduction oxidation level with respect to vacuum are identified, which shows that can be used as photocatalyst for hydrogen production. Electronic structure is explained by plotting total density states (TDOS) (© 2012 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)