منابع مشابه
Probing Defects in Nitrogen-Doped Cu2O
Nitrogen doping is a promising method of engineering the electronic structure of a metal oxide to modify its optical and electrical properties; however, the doping effect strongly depends on the types of defects introduced. Herein, we report a comparative study of nitrogen-doping-induced defects in Cu2O. Even in the lightly doped samples, a considerable number of nitrogen interstitials (Ni) for...
متن کاملDefects, doping, and conduction mechanisms in nitrogen-doped tetrahedral amorphous carbon
First principles methods are used to study N doping of diamondlike amorphous carbon. A structural model containing 216 atoms is introduced, whose properties are in agreement with the available experimental data. The topological and electronic properties for different N doping concentrations are investigated. We find that N occurring in tetrahedral sites or chains of an even number of p bonded s...
متن کاملNitrogen interstitial defects in GaAs.
We have studied nitrogen interstitial defects in GaAs with first-principles calculations. On the basis of calculated formation energies we have determined the most common nitrogen defects and the transition levels for various charge states. The lowest energy interstitial-type defects are found to be N-N and N-As split interstitials for most of the experimentally relevant conditions. We have als...
متن کاملCan all nitrogen-doped defects improve the performance of graphene anode materials for lithium-ion batteries?
The electronic and adsorption properties of graphene can be changed significantly through substitutional doping with nitrogen and nitrogen decoration of vacancies. Here ab initio density functional theory with a dispersion correction was used to investigate the stability, magnetic and adsorption properties of nine defects in graphene, including both nitrogen substitutional doping and nitrogen d...
متن کاملVisible Light Activity of Nitrogen-Doped TiO2 by Sol-Gel Method Using Various Nitrogen Sources
In order to improve photocatalytic activities of the pure anatase TiO2 under UV and visible light irradiations, a novel and efficient N-doped TiO2 photocatalyst was prepared by sol-gel method. N-doped titania is prepared using the various nitrogen sources such as: triethylamine, N,N,N’,N’-tetramethylethane-1,2-diamine, ethyldiamine, 1,2-phenylenediamine, propanolamine, and...
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ژورنال
عنوان ژورنال: Scientific Reports
سال: 2014
ISSN: 2045-2322
DOI: 10.1038/srep07240