Reaching High Piezoelectric Performance with Rotating Directional-Field-Aligned PVDF-MoS Piezo-Polymer Applicable for Large-Area Flexible Electronics.

Wearable electronics and smart harvesting textile studies require a material system that resists physical stimulation. Such applications require receptive piezo-polymers, and their activation-free preparation that can translate into a continuous large-area film. In this work, it is discussed whether the β-content of piezo-polymer is extended with no use of any activation (i.

Modulating the properties of polylactic acid for packaging applications using biobased plasticizers and naturally obtained fillers.

The properties of PLA films intended for packaging applications have been modulated by using bio-based platicizers and naturally obtained fillers. Triethyl citrate (TEC) and glycerol triacetate (GTA) have been used as platicizers and halloysite nanotubes (HNT) and chitosan have been used as fillers. The addition of 10 wt% TEC, 10 wt% GTA and 3 wt% HNT improves the ductility of PLA films, however, reduces the tensile modulus and tensile strength.

Synthesis, characterization and quantum chemical investigation of molecular structure and vibrational spectra of 2,5-dichloro-3,6-bis-(methylamino)1,4-benzoquinone.

2,5-Dichloro-3,6-bis-methylamino-[1,4]benzoquinone has been synthesized by condensing methyl amine hydrochloride with chloranil in presence of condensing agent sodium acetate. FT-IR (4000-400 cm(-1)) and FT-Raman (4000-400 cm(-1)) spectral measurements of dmdb have been done. Ab initio and DFT (B3LYP/6-311+G(**)) calculations have been performed giving energies, optimized structures, harmonic vibrational frequencies, infrared intensities and Raman activities.

Experimental Raman and IR spectral and theoretical studies of vibrational spectrum and molecular structure of Pantothenic acid (vitamin B5).

Vibrational spectrum of Pantothenic acid has been investigated using experimental IR and Raman spectroscopies and density functional theory methods available with the Gaussian 09 software. Vibrational assignments of the observed IR and Raman bands have been proposed in light of the results obtained from computations. In order to assign the observed IR and Raman frequencies the potential energy distributions (PEDs) have also been computed using GAR2PED software.

DFT study of conformational and vibrational characteristics of 2-(2-hydroxyphenyl)benzothiazole molecule.

The conformational and IR and Raman spectral studies of 2-(2-hydroxyphenyl)benzothiazole have been carried out by using the DFT method at the B3LYP/6-311++G(**) level. The detailed vibrational assignments have been done on the basis of calculated potential energy distributions. Comparative studies of molecular geometries, atomic charges and vibrational fundamentals of all the conformers have been made.

Experimental and theoretical studies of vibrational spectrum and molecular structure and related properties of pyridoxine (vitamin B6).

Vibrational spectrum of pyridoxine has been investigated using experimental IR and Raman spectroscopic and density functional theory (DFT) methods. Vibrational assignments of the observed IR and Raman bands have been proposed in light of the results obtained from computations. In order to assign the observed IR and Raman frequencies the potential energy distributions (PEDs) have also been computed.

Vibrational studies of benzene, pyridine, pyridine-N-oxide and their cations.

IR and Raman spectra of pyridine and pyridine-N-oxide have been recorded and analyzed. The optimized molecular geometries, APT charges and vibrational characteristics for benzene, pyridine, pyridine-N-oxide and their cations have been computed using DFT method. Due to attachment of O atom at N site or removal of electron all the modes are affected in magnitudes.