Search results for "oxides"
showing 10 items of 547 documents
Unveiling the Occurrence of Co(III) in NiCo Layered Electroactive Hydroxides: The Role of Distorted Environments
2020
Co- and Ni-based layered hydroxides constitute a unique class of two-dimensional inorganic materials with exceptional chemical diversity, physicochemical properties and outstanding performance as supercapacitors and overall water splitting catalysts. Recently, the occurrence of Co(III) in these phases has been proposed as a key factor that enhance their electrochemical performance. However, the origin of this centers and control over its contents remains as an open question. We employed the Epoxide Route to synthesize a whole set of α-NiCo layered hydroxides. The PXRD and XAS characterization alert about the occurrence of Co(III) as a consequence of the increment in the Ni content. DFT+U si…
Formation of dibutyl carbonate and butylcarbamate via CO2 insertion in titanium(IV) butoxide and reaction with n-butylamine
2016
Abstract The species resulting from insertion of 12CO2 and 13CO2 into titanium(IV) butoxide is for the first time fully characterized by means of infrared and nuclear magnetic resonance spectroscopy. Results show formation of Ti-monobutylcarbonate, that easily undergoes nucleophilic attack by an aliphatic amine. The hydrolysis of the resulting species produces butylcarbamate and dibutylcarbonate as the only main products. Characterization results of the carbonate-like adduct, along with its reactivity with amine molecules open the route to new ways of CO2 utilization as building block for valuable organic compounds.
A Generalized Semiempirical Approach to the Modeling of the Optical Band Gap of Ternary Al-(Ga, Nb, Ta, W) Oxides Containing Different Alumina Polymo…
2021
A generalization of the modeling equation of optical band gap values for ternary oxides, as a function of cationic ratio composition, is carried out based on the semiempirical correlation between the differences in the electronegativity of oxygen and the average cationic electronegativity proposed some years ago. In this work, a novel approach is suggested to account for the differences in the band gap values of the different polymorphs of binary oxides as well as for ternary oxides existing in different crystalline structures. A preliminary test on the validity of the proposed modeling equations has been carried out by using the numerous experimental data pertaining to alumina and gallia p…
Halide-Mediated Modification of Magnetism and Electronic Structure of α-Co(II) Hydroxides: Synthesis, Characterization, and DFT+U Simulations.
2019
The present study introduces a comprehensive exploration in terms of physicochemical characterization and calculations based on density functional theory with Hubbard's correction (DFT+U) of the whole family of α-Co(II) hydroxyhalide (F, Cl, Br, I). These samples were synthesized at room temperature by employing a one-pot approach based on the epoxide route. A thorough characterization (powder X-ray diffraction, X-ray photoelectron spectroscopy, thermogravimetric analysis/mass spectroscopy, and magnetic and conductivity measurements) corroborated by simulation is presented that analyzes the structural, magnetic, and electronic aspects. Beyond the inherent tendency of intercalated anions to …
Relations between Air Quality and Covid-19 Lockdown Measures in Valencia, Spain
2021
The set of measures to contain the diffusion of COVID-19 instituted by the European governments gave an unparalleled opportunity to improve our understanding of the transport and industrial sectors’ contribution to urban air pollution. The purpose of this study was to assess the impacts of the lockdown measures on air quality and pollutant emissions in Valencia, Spain. For this reason, we determined if there was a significant difference in the concentration levels of different particulate matter (PM) sizes, PM10, PM2.5, and NOx, NO2, NO, and O3, between the period of restrictions in 2020 and the same period in 2019. Our findings indicated that PM pollutant levels during the lockdown period…
Preliminary results on the influence of car characteristics on their gases emissions using gas sensors
2018
Abstract A method, based on the use of monitoring portable sensors, has been successfully employed for the determination of the composition of car exhausts from 11 diesel and 5 gasoline cars. These emissions include nitrogen oxides (NOx), carbon monoxide (CO), carbon dioxide (CO2) and volatile organic compounds (VOCs). The measures were taken in different places where each car was parked. In this study it has been tried to correlate the emitted gases with some of the car characteristics, such as the power (varied from 68 to 143 HP), the number of kilometers traveled and the age of the car (between 2 and 19 years). Results found show a significant variation of the emission values, which rang…
Rare earth element and neodymium isotope tracing of sedimentary rock weathering
2020
Chemical weathering plays an important role in sequestering atmospheric CO2, but its potential influence on global climate over geological timescales remains debated. To some extent, this uncertainty arises from the difficulty in separating the respective contribution of sedimentary and crystalline silicate rocks to past weathering rates in the geological record; two types of rocks having presumably different impact on the long-term carbon cycle. In this study, we investigate the use of rare earth element (REE) and neodymium isotopes (εNd) in leached iron oxide fractions of river sediments for tracing the origin of weathered rocks on continents. A new index, called ‘concavity index’ (CI), i…
OnCallavia(Trilobita) from the Cambrian Series 2 of Iberia with systematic status of the genus
2021
Olenellid trilobites from the lower Cambrian of the Iberian Peninsula are very scarce and poorly studied, making them difficult to compare with defined species and to include in biostratigraphic and paleobiogeographic analyses. Based on newly collected specimens, we revise the species ‘Callavia? lotzei’ Richter and Richter, 1941 from the ‘Cumbres beds’ of Cumbres de San Bartolomé and the ‘Herrerías shale’ of Cañaveral de León, Sierra del Bujo, and Hinojales (Huelva, Spain), and ‘Paradoxides choffati’ Delgado, 1904 from the Vila Boim Formation of Elvas (Portugal). The new material indicates that Callavia? lotzei is a junior synonym of ‘P. choffati.’ The Iberian species are here assigned to C…
Bleaching efficacy of at home 16% carbamide peroxide. A long-term clinical follow-up study.
2019
OBJECTIVE To assess the whitening efficacy of a 16% carbamide peroxidase (CP) gel after 42 months of clinical follow-up. MATERIALS AND METHODS A retrospective clinical study was carried out involving 95 participants. CP 16% was applied for 90 minutes a day for 4 weeks using individualized trays. Tooth color was assessed using spectrophotometry at baseline, 1 week after the end of treatment, and every 6 months until completing 42 months of follow-up. Color parameters were compared using analysis of variance for repeated measures. The analysis by teeth groups was performed using two-way ANOVA. RESULTS The mean baseline L* was 81.7 ± 5.2 versus 83.6 ± 8.8 after 42 months (P<.01). L* showed a d…
Decreased bioavailability of nitric oxide in aorta from ovariectomized senescent mice. Role of cyclooxygenase.
2015
This study investigates the effects of aging and/or ovariectomy on vascular reactivity to thromboxane A2 (TXA2) receptor stimulation with U46619, and the modulation by nitric oxide (NO) and cyclooxygenase (COX) in aorta from female senescence-accelerated mice (SAMP8) and from senescence resistant mice (SAMR1). Five-month-old female SAMR1 and SAMP8 were divided into three groups: sham-operated, ovariectomized and ovariectomized plus estradiol. Twenty-eight days after surgery, thoracic aortic rings were mounted for isometric recording of tension and concentration-response curves for U46619 (10(-10)-3 × 10(-7) M) were performed in the absence and in the presence of the NO synthase inhibitor N(…