Synthesis and characterization of TiO2-doped Polyaniline nanocomposites by chemical oxidation method

Polyaniline (PANI)/TiO₂ nanocomposite samples with various dopant percentages of TiO₂ were synthesized at room temperature using a chemical oxidative method. The samples were characterized by ultraviolet-visible spectrometer, Fourier transform infrared (FTIR) spectrometer, X-ray diffraction (XRD), scanning electron microscopy (SEM), EDAX and conductivity measurements. Incorporation of TiO₂ nanoparticles caused a slight red shift at 310 nm in the absorption spectra due to the interactions between the conjugated polymer chains and TiO₂ nanoparticles with π–π^? transition. FTIR confirmed the presence of TiO₂ in the molecular structure. In PANI/TiO₂ composites, two additional bands at 1623 cm^?1 and 1105 cm^?1 assigned to Ti–O and Ti–O^–C stretching modes were present. It can be concluded that Ti organic compounds are formed with an alignment structure of TiO₂ particles. XRD patterns revealed that, as the TiO₂ percentage was increased, the amorphous nature disappeared and the composites became more strongly oriented along the (1 1 0) direction, which showed the tetragonal structure of nanocrystalline TiO₂. SEM studies revealed the formation of uniform granular morphology with average grain size of 200 nm for (50%) PANI/TiO₂ nanocomposite samples.     

Highly NIR-emissive lanthanide polyselenides

Ln(SePh)(3) (Ln = Ce, Pr, Nd), prepared by reduction of PhSeSePh with elemental Ln and Hg catalyst, reacts with excess elemental Se to give (py)(11)Ln(7)Se(21)HgSePh, an ellipsoidal polyselenide cluster. The molecular structure contains two square arrays of eight- or nine-coordinate Ln fused at one edge to form a V shape that is also capped on the concave side by a centrally located nine-coordinate (Se(3))pyLn(Se(3)) and on the convex side by a 2-fold disordered SeHgSePh. The central Ln coordinates to selenido, triselenido, and pyridine ligands, while all other Ln coordinate to selenido, diselenido, triselenido, and pyridine ligands. Thermal treatment of the Pr compound at 650 °C gave Pr(2)Se(3) and Pr(3)Se(4). NIR emission studies of the Nd compound show four transitions from the excited-state (4)F(3/2) ion to (4)I(9/2), (4)I(11/2), (4)I(13/2), and (4)I(15/2) states. The (4)F(3/2) ion to (4)I(11/2) transition (1075 nm emission) exhibited 43% quantum efficiency. This is the highest quantum efficiency reported for a 'molecular' Nd compound and leads a group of selenide-based clusters that has shown extraordinary quantum efficiency. In terms of efficiency and concentration, these compounds compare favorably with solid-state materials.     

Trace element study of kidney stones from subjects belonging to stone belt region of India

Kidney stones obtained from six patients belonging to the stone belt region of India (Punjab) were analyzed for inorganic constituents using instrumental neutron activation analysis (INAA) and energy dispersive X-ray fluorescence (EDXRF) techniques. For INAA, samples were irradiated along with IAEA RM Soil 7 as reference standard in CIRUS reactor, BARC, Mumbai. Gamma activity of irradiated samples was measured using a 45% relative efficiency HPGe detector coupled to 8?k channel analyzer. EDXRF method was used for determination of concentration of Ca. The concentrations of ten elements namely Ca, Na, K, Mn, Co, Cr, Zn, Br, Sm and Cl, are reported and discussed.     

HgCdTe/CdTe/Si infrared photodetectors grown by MBE for near-room temperature operation

Conventional HgCdTe infrared detectors need significant cooling in order to reduce noise and leakage currents resulting from thermal generation and recombination processes. Although the need for cooling has long been thought to be fundamental and inevitable, it has been recently suggested that Auger recombination and generation rates can be reduced by using the phenomena of exclusion and extraction to produce nonequilibrium carrier distributions. The devices with Auger suppressed operation requires precise control over the composition, and donor and acceptor doping. The successful development of the molecular beam epitaxy (MBE) growth technique for multi-layer HgCdTe makes it possible to grow these device structures. Theoretical calculations suggest that the p n+ layer sequence is preferable for near-room temperature operation due to longer minority carrier lifetime in lightly doped p-HgCdTe absorber layers. However, because the low doping required for absorption and nonequilibrium operation is easier to achieve in n-type materials, and because Shockley-Read centers should be minimized in order to obtain the benefits of Auger suppression, we have focused on p⁺ n structures. Planar photodiodes were formed on CdTe/Si (211) composite substrates by As implantation followed by a three step annealing sequence. Three inch diameter Si substrates were employed since they are of high quality, low cost, and available in large areas. Due to this development, large area focal plane arrays (FPAs) operated at room temperature are possible in the near future. The structures were characterized by FTIR, x-ray diffraction, temperature dependent Hall measurements, minority carrier lifetimes by photoconductive decay, and in-situ ellipsometry. To study the relative influence of bulk and surface effects, devices with active areas from 1.6 10⁻⁵ cm² to 10⁻³ cm² were fabricated. The smaller area devices show better performance in terms of reverse bias characteristics indicating that the bulk quality could be further improved. At 80 K, the zero bias leakage current for a 40 m 40 m diode with 3.2 m cutoff wavelength is 1 pA, the R₀A product is 1.1 10⁴-cm² and the breakdown voltage is in excess of 500 mV. The device shows a responsivity of 1.3 10⁷ V/W and a 80 K detectivity of 1.9 10¹¹ cm-Hz^1/2/W. At 200 K, the zero bias leakage current is 5 nA and the R₀A product 2.03-cm², while the breakdown voltage decreases to 40 mV.     

Exploration of Induced Blue Phases and Orthogonal Smectic Batonnets in Hydrogen-Bonded Ferroelectric Nanoliquid Crystalline Complexes for Optoelectronic Devices

A novel blue phase hydrogen-bonded ferroelectric liquid crystal (HBFLC) series has been synthesized from cholesteryl stearate (CHS) and p-n-alkyloxybenzoic acid (nOBA, where n?=?2 to12). Blue phase (BP) liquid crystalline complex is a high potent material for next-generation optoelectronic devices. The structural, optical, and thermal properties of present HBFLC complexes have been characterized by X-ray diffraction techniques (XRD), Fourier transform infrared spectroscopy (FT-IR), nuclear magnetic resonance spectroscopy (NMR), polarizing optical microscope (POM), and differential scanning calorimetry (DSC) techniques. The band gap energy of the present HBFLC complex (4.6 eV) is estimated by UV-Visible spectrometer. X-ray diffraction and scanning electron microscope (SEM) studies which confirm the monoclinic nature and morphology of the present complex. Phase diagram of the present CHS + nOBA is constructed from DSC data and the same is discussed. The lower homologous of CHS + nOBA HBFLC (n?=?2 to 6) complex shows BP_sm1, BP_sm2, BP_sm3 while higher homologous (n?=?7 to 12) exhibiting orthogonal smectic A* (SmA*) character with blue phases. A noteworthy observation is that the identification of extended thermal span of smectic blue phases and induced SmA* phase in the present HBFLCs. Another important observation is that the widest BP range is reported in the present hydrogen-bonded ferroelectric nanoliquid crystalline (HBFNLC) complex which is more suitable for photonic devices. In addition, LC parameters such as, phase width, thermal stability factor, phase transition temperature with enthalpy value, and the origination of orthogonal phases in CHS + nOBA HBFLC complex is also reported.     

Theoretical study of the electronic structure of MCH(2)(+)(M=Fe,Co,Ni)

State of the art coupled cluster (CC) methods are applied to accurately characterize the ground state electronic structure and photoelectron spectra of transition metal carbene ions MCH(2) (+) (M=Fe, Co, and Ni). The geometries and energies of the lowest energy quartet, triplet, and doublet electronic states as well as several low-lying vertical excitation energies of FeCH(2) (+), CoCH(2) (+), and NiCH(2) (+) are reported. The excitation energies are computed using the equation-of-motion CC and for states of different symmetries, by the energy differences of single reference ground and excited states (Delta-CC). The latter employ several reference states; the unrestricted Hartree-Fock, restricted open shell Hartree-Fock, and unrestricted Kohn-Sham. We conclude that the (2)A(1) electronic ground state of NiCH(2) (+) is separated by about 30.0 kJ/mol from the next highest state, and the lowest (4)B(1) and (4)B(2) states of FeCH(2) (+) as well as the (3)A(2) and (3)A(1) states of CoCH(2) (+) are nearly degenerate. The presence of metal-pi*(MCH(2)) charge transfer states with significant oscillator strengths in the visible/near-UV energy domain of the theoretical spectra of FeCH(2) (+) and CoCH(2) (+) are at the origin of the photofragmentation of these compounds observed after irradiation between 310 and 360 nm.     

Oxoclusters of the lanthanides begin to resemble solid-state materials at very small cluster sizes: structure and NIR emission from Nd(III)

The reaction of Nd(SePh)3 with SeO2 and Hg in pyridine gives the dodecanuclear cluster [(py)18Nd12O6Se4(Se2)4(SePh)4(Se2Ph)2Hg2(SePh)4][(Hg(SePh)3]2. In this compound the 12 Nd(III) ions are stacked in four sets of Nd3, with pairs of tetrahedral oxo ligands separating the Nd3 planes and Se, SeSe, SePh, pyridine, and HgSePh groups encapsulating the oxo core. Both the Nd-O bond lengths and the geometries about the oxo ions are remarkably similar to those found in solid-state Nd2O3. Near-IR emission experiments indicate that the cluster emission properties are less intense than those of highly emissive (DME)2Nd(SC6F5)3 or (THF)8Nd8O2Se2(SePh)16 but brighter than the nonemissive solid-state compound Nd2O3. Intensity variations are interpreted in terms of concentration quenching and phonon relaxation.