Search results for "RAMAN"

On the impact of side methyl groups on the structure and vibrational properties of β-carotenoids. The case of butadiene and isoprene

2021

Abstract Theoretical consideration about the impact of methyl groups on the structure and vibrational properties of β-carotenoids, using medium size molecules of trans-butadiene and trans-isoprene, are reported. Density functional theory (DFT) calculations with correlation-consistent and polarization-consistent basis sets were applied to trans-1,3-butadiene and trans-isoprene as the smallest building bricks of β-carotenoids. Their structure and harmonic vibrations were estimated in the complete basis set limit (CBS) using the non-linear least square fit. Optimized geometries and harmonic frequencies, obtained with B3LYP and BLYP density functionals and large basis sets, were favorably repro…

Pressure-Driven Isostructural Phase Transition in InNbO4: In Situ Experimental and Theoretical Investigations

2017

[EN] The high-pressure behavior of technologically important visible-light photocatalytic semiconductor In.NbO4, adopting a monoclinic wolframite-type structure at ambient conditions, was investigated using synchrotron-based X-ray diffraction, Raman spectroscopic measurements, and first-principles calculations. The experimental results indicate the occurrence of a pressure-induced isostructural phase transition in the studied compound beyond 10.8 GPa. The large volume collapse associated with the phase transition and the coexistence of two phases observed over a wide range of pressure shows the nature of transition to be first-order. There is an increase in the oxygen anion coordination num…

Exploring wet chemistry approaches to ZnFe2O4 spinel ferrite nanoparticles with different inversion degrees: A comparative study

2019

Zinc ferrite (ZnFe2O4) spinel nanocrystals were synthesised through three different low-temperature routes, namely hydrothermal, combined miniemulsion/hydrothermal, and microwave-assisted non-aqueous sol–gel synthesis. With the aim of studying the influence of the respective approach on the structural evolution of the compounds during the synthetic process, the samples were prepared with different processing times. The resulting nanoparticles were inspected with a wide range of analytical techniques, both with regards to the local (X-ray absorption spectroscopy – XAS) and the long-range (Raman spectroscopy, X-ray diffraction – XRD) order.

XAS, XRD, AFM and Raman studies of nickel tungstate electrochromic thin films

2001

Abstract Systematic studies of nanocrystalline nickel tungstate, NiWO 4 , thin films were performed by several experimental techniques such as Ni K- and W L 1,3 -edges X-ray absorption spectroscopy, X-ray diffraction, Raman spectroscopy, atomic force microscopy and cyclic voltammetry measurements. We found that the NiWO 4 thin films exhibit electrochromic properties similar to that of amorphous tungsten trioxide films, but show better structural stability upon multiple colouring/bleaching cycling. It was observed that a nanocrystallinity of the thin films results in strong modifications of the NiO and WO interactions, which affect both local atomic and vibrational structures.

Structure and composition of sputter-deposited nickel-tungsten oxide films

2011

Films of mixed nickel-tungsten oxide, denoted NixW1-x oxide, were prepared by reactive DC magnetron co-sputtering from metallic targets and were characterized by Rutherford backscattering spectrometry. X-ray photoelectron spectroscopy, X-ray diffractometry and Raman spectroscopy. A consistent picture of the structure and composition emerged, and at x<0.50 the films comprised a mixture of amorphous WO3 and nanosized NiWO4, at x = 0.50 the nanosized NiWO4 phase was dominating, and at x>0.50 the films contained nanosized NiO and NiWO4.

Integrated methodologies for qualitative and quantitative characterization of historical pigments

2014

Mechanical characterization of TiO2 nanofibers produced by different electrospinning techniques

2015

Abstract In this work TiO2 nanofibers produced by needle and needleless electrospinning processes from the same precursor were characterized and compared using Raman spectroscopy, transmission electron microscopy (TEM), scanning electron microscopy (SEM) and in situ SEM nanomechanical testing. Phase composition, morphology, Young's modulus and bending strength values were found. Weibull statistics was used to evaluate and compare uniformity of mechanical properties of nanofibers produced by two different methods. It is shown that both methods yield nanofibers with very similar properties.

Acoustic vibrations of metal nanoparticles: high order radial mode detection

2004

The vibrational radial modes of silver nanospheres embedded in a glass matrix are investigated using a high sensitivity femtosecond pump-probe technique. The results yield evidence for coherent launching of the fundamental and higher order radial modes in agreement with a sphere dilation mediated excitation model. The results are consistent with low-frequency Raman scattering experiments.

Synthesis of Yb nanoparticles by laser ablation of ytterbium target in sodium bis(2-ethylhexyl)sulfosuccinate reverse micellar solution

2010

Abstract Surfactant-coated ytterbium nanoparticles were produced by Nd:YAG laser ablation of a Yb bulk target immersed in sodium bis(2-ethylhexyl)sulfosuccinate (AOT)/ n -heptane micellar solution. In our experimental conditions, as highlighted by IR spectroscopy, AOT molecules are not decomposed by the intense laser pulses but play a pivotal role in the stabilisation of Yb nanoparticles. The formation of Yb nanoparticles in the liquid phase was monitored by UV–Vis spectroscopy whereas the Yb/AOT composites obtained by evaporation of the organic solvent were characterised by XPS and TEM. Data analysis consistently shows the presence of surfactant-coated, nearly spherical and non-interacting…

High-Pressure Raman Study of Zincblende, Cinnabar, and Cmcm Phases Of ZnTe

2002

Raman measurements of ZnTe have been performed at pressures up to 15 GPa. Frequencies, line widths, and intensities of first- and second-order Raman features of the zincblende phase (0-9.5 GPa) were studied in detail. In this note, we focus on the Raman spectra of the high-pressure cinnabar and Cmcm phases. In the transition regime from cinnabar to Cmcm (12.2 to 13.7 GPa) the Raman data indicate the possible existence of a new intermediate high-pressure phase.