01785nas a2200253   4500008004100000022001400041245008200055210006900137260007300206300001200279490000700291520094300298653000901241653001501250653001301265653002301278653000801301100002401309700002601333700002401359700001701383700001801400856011301418       2015                        eng d  a1293-255800aPhotochemical performance of ZnO nanostructures in dye sensitized solar cells0 aPhotochemical performance of ZnO nanostructures in dye sensitize  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcOCT  a237-2430 v483 a<p>In this work, the photoconversion efficiencies of ZnO having diverse microstructures and structural defects have been investigated. A conversion efficiency of 138% was achieved for the DSSCs fabricated with as prepared ZnO nanorods having minimum vacancy defects and a favourable one dimensional directional pathway for electron conduction. The DSSCs fabricated with ZnO nanoparticles exhibited relatively low conversion efficiency of 1.004% probably due to multiple trapping/detrapping phenomena within the grain boundaries and ZnO flowers though exhibited a high dye adsorption capability exhibited the lowest conversion efficiency of 0.59% due to a high concentration of structural defects. Based on the experimental evidences, we believe that the type of defects and their concentrations are more important than shape in controlling the overall performance of ZnO based DSSCs. (C) 2015 Elsevier Masson SAS. All rights reserved.</p>10aDSSC10aEfficiency10aEmission10aStructural defects10aZnO1 aDas, Partha, Pratim1 aMukhopadhyay, Soumita1 aAgarkar, Shruti, A.1 aJana, Arpita1 aDevi, Sujatha  uhttps://library.ncl.res.in/content/photochemical-performance-zno-nanostructures-dye-sensitized-solar-cells-002383nas a2200241   4500008004100000022001400041245017700055210006900232260000800301300001100309490000800320520146400328653001501792653003001807653001301837653002301850653004501873100002101918700002201939700002701961700002501988856012802013       2019                        eng d  a1011-134400aEffect of substitution on the excited state photophysical and spectral properties of boron difluoride curcumin complex dye and their derivatives: a time dependent-DFT study0 aEffect of substitution on the excited state photophysical and sp  cOCT  a1115950 v1993 a<p>The optical, charge transport and electronic properties of boron difluoride curcumin (BFC) complex have been explored using the DFT (Density Functional Theory) method and B3LYP functional with the combination of 6-31 + G(d,p) as a basis set. The influence of substitution with various electron releasing and withdrawing groups on the above properties is analyzed and discussed in this work. The results reveal that the BFC complex on additional electron releasing substitution experiences redshifts in the optical transitions, and this is correlated with the dipole moment, NBO charges, HOMO-LUMO energy gap. Further, the absorption (lambda(abs)) and emission (lambda(ems)) spectra of substituted and unsubstituted BFCs are calculated using Time-Dependent Density Functional Theory (TD-DFT). The results show that the electron releasing groups strongly influence the absorption and emission spectra of BFC. Electron releasing groups in BFC derivatives generate the wavelength shift (Bathochromic), but the electron-withdrawing groups in BFC don't affect the lambda(abs) and lambda(ems) when compare to its original (parent) compound. The output of the research work strongly recommends that the amino, phenyl and N, N'-dimethylamino derivatives are potential candidates to act as fluorescent materials due to enhance the emission behavior of BFC and also can be used as an electron/charge transport material for organic light-emitting diodes (OLEDs).</p>
10aAbsorption10aBoron difluoride curcumin10aEmission10aMolecular orbitals10aTime-dependent density functional theory1 aSelvam, Karthick1 aGandhi, Sivaraman1 aKrishnarnurty, Sailaja1 aGopalakrishnan, Gopu  uhttps://library.ncl.res.in/content/effect-substitution-excited-state-photophysical-and-spectral-properties-boron-difluoride