Theory of Schottky barrier and metallization

The formation of the rectifying Schottky barrier on metal-semiconductor interfaces is one of the longest standing problems of solid-state physics. We present a review of the models and theories for Schottky barrier. Two important examples of metal-semiconductor interfaces, namely those containing simple and alkali metals, are analyzed in order to evaluate these models and theories in the light of ab-initio calculations.     

A thermomechanical theory for a porous anisotropic elastic solid with inclusions

We construct a mixture theory which describes a porous elastic anisotropic solid with inclusions. Thermal effects are taken into account. The theory is in accord with classical thermodynamics. Fully nonlinear isotropic and anisotropic materials are considered, and field equations are also given for a nontrivial special case which, though nonlinear, is controlled by a few material functions. When properly specialized, the theory reduces to the P- model, a model widely used to describe porous solids.This work is dedicated to Jerald L. Ericksen on the occasion of his 60^th birthday     

Thermal neutron activation analysis of Cu in its ores by using an241Am−Be neutron source

A thermal neutron activation method has been developed for the determination of Cu in Cu–Pb–Zn ores and chalcopyrite ore concentrates using the reaction⁶³Cu(N, )⁶⁴Cu. The samples were irradiated with thermal neutrons from an²⁴¹Am–Be neutron source and the annihilation -radiations of 0.511 MeV were counted on 3×3 NaI(T1) detector coupled with single channel pulse height analyzer. The method is nondestructive, economical and ideal for bulk analysis of ores with 1–16% Cu.     

TiCl(4)-promoted Baylis-Hillman reactions of substituted 5-isoxazolecarboxaldehydes with cycloalkenones)

The Baylis-Hillman (BH) reaction of substituted 5-isoxazolecarboxaldehydes with cyclohexenone in the presence of TiCl(4) invariably lead to the formation of hemiacetals beside the BH adducts. A similar reaction in the presence of DABCO, DBU, or 3-HQN yielded minor quantities of phenols in addition to the usual BH adducts. Similar to 5-isoxazolecarboxaldehydes, the TiCl(4)-mediated BH reaction of cyclohexenone with various benzaldehydes also furnishes hemiacetals in considerable yields. The reaction mechanism involving the formation of alpha-chloromethyl enone as an intermediate has been proposed. The synthesis of hemiacetals 5 and 14 from compound 4 in the presence of cyclohexenone and cyclopentenone, respectively, under acidic conditions indicates that enolization and aromatization of the cyclohexene ring are the key steps in the reaction mechanism.     

Distorted pentacoordinate copper(II) complexes containing a tridentate ligand

Summary Copper(II) complexes with a tridentate chelating ligand within the general 2N, X (X = O or S) donor class, containing abis(benzimidazolyl) donor set, were prepared and characterized. X-band e.p.r. spectra of the complexes indicateg >g and the largeg and lowA have been interpreted in terms of a distorted basal plane. Superimposed on theg component are five SHF lines withA _N = 16±2G, supporting the interaction of two nitrogen atoms with the copper nucleus. Thus, the basal plane of the complex comprises 2N atoms, with the ligand hetero atom being axially coordinated.     

Absorption and emission of light in red emissive carbon nanodots

The structure–function relationship, especially the origin of absorption and emission of light in carbon nanodots (CNDs), has baffled scientists. The multilevel complexity arises due to the large number of by-products synthesized during the bottom-up approach. By performing systematic purification and characterization, we reveal the presence of a molecular fluorophore, quinoxalino[2,3-b]phenazine-2,3-diamine (QXPDA), in a large amount (∼80% of the total mass) in red emissive CNDs synthesized from o-phenylenediamine (OPDA), which is one of the well-known precursor molecules used for CND synthesis. The recorded NMR and mass spectra tentatively confirm the structure of QXPDA. The close resemblance of the experimental vibronic progression and the mirror symmetry of the absorption and emission spectra with the theoretically simulated spectra confirm an extended conjugated structure of QXPDA. Interestingly, QXPDA dictates the complete emission characteristics of the CNDs; in particular, it showed a striking similarity of its excitation independent emission spectra with that of the original synthesized red emissive CND solution. On the other hand, the CND like structure with a typical size of ∼4 nm was observed under a transmission electron microscope for a blue emissive species, which showed both excitation dependent and independent emission spectra. Interestingly, Raman spectroscopic data showed the similarity between QXPDA and the dot structure thus suggesting the formation of the QXPDA aggregated core structure in CNDs. We further demonstrated the parallelism in trends of absorption and emission of light from a few other red emissive CNDs, which were synthesized using different experimental conditions.

Herein we unveil the presence of a molecular fluorophore quinoxalino[2,3-b]phenazine-2,3-diamine (QXPDA) in a colossal amount in red emissive CNDs synthesized from o-phenylenediamine, a well-known precursor molecule used for CND synthesis.     

Identification of the aromatic hydroxylamine group by mass spectrometry

The mass spectra of aromatic hydroxylamines are diagnostic; [M], [M – 2], [M – 16] and, in most instances, [M – 17] ions are observed.     

Use of [hydroxy(tosyloxy)iodo]benzene in a novel and facile synthesis of 1,4-diaryl-2-(arylamino)but-2-ene-1,4-diones

The reaction of acetophenones 1 with [hydroxy(tosyloxy)iodo]benzene followed by treatment of the resulting α-tosyloxyacetophenones 2 thus formed with anilines 3 in the presence of sodium carbonate in ethanol provides a novel one-pot synthesis of 1,4-diaryl-2-(arylamino)but-2-ene-1,4-diones 4.