electronic structurecharge transferWe have studied the electronic structure of bromine-graphite intercalation compound from first principles for the first time, and proposed a new charge transfer mechanism. The Br2 molecule intercalated between graphite layers is transformed into tribromide Br3 with the ...
These states overlap with the electronic bands of the SWNT near the Fermi level which results in a substantial charge transfer from carbon to bromine. Introduction The electronic structure of single-wall nanotubes (SWNT) depends on the tube chirality and diameter [1], [2], [3]. Several ...
Good correlation was obtained with the corresponding ionization potentials of chlorine azide (2), bromine azide (3), hydrazoic acid (4), and methyl azide (5). The low stability of 1 is apparent from its electronic structure.doi:10.1002/cber.19881210325Paul Rademacher...
bromine, Brstructure (solids and liquids)electric properties, superconductors, semiconductorsChemInform is a weeklying Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInformof an article which was published elsewhere, please select a...
Using PBEsol-GGA for the studied compounds of halide based double-perovskites Cs2ScAgX6 (X = I, Cl, Br), the cubic structures Fm-3 m (2 2 5) has improved to remove the additional forces within the structures. Fig. 1 shows the electronic structure of the compounds. Cesium cation is bo...
synthesized quasi-one-dimensional organic conductors (DMe-DCNQI)Cu and (MeBr-DCNQI)Cu has been carried out using various techniques of electron spectroscopy, where DMe-DCNQI and MeBr-DCNQI are 2,5-dimethyl-N,N'-dicyanoquinonediimine and 2,5-methylbromine-N,N'-dicyanoquinonediimine, ...
of NaH2PO2·H2O. Through optimization of the electronic structure of Pt and Ru induced by P-doping, the process of water dissociation was markedly accelerated. Thus the P-PtRu/C catalyst exhibited superior activity in terms of low overpotentials of merely 1 mV and 68 mV at 10 mA cm−2...
Also surprisingly, the effect of bromine and chlo- rine substituents on the optical features of the diazaacenes is almost identical. This is however consistent with the similar inductive and mesomeric properties of these two halogens (Br: F = + 0.45, R = –0.22; Cl: F ...
The compounds of the formula (I) are used in accordance with the invention in electronic devices, preferably in organic electroluminescent devices (OLEDs). The general structure of these devices is described, for example, in U.S. Pat. No. 4,539,507, U.S. Pat. No. 5,151,629, EP 0676...
The further structure of the group and whether it comprises further units and, if so, which units are immaterial to the definition. An aryl group in the context of this invention contains 6 to 40 aromatic ring atoms of which none is a heteroatom. An aryl group in the context of this ...