Construction of an Internally B3N3-Doped Nanographene Molecule
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چکیده
منابع مشابه
Density functional theory study of the adsorption of NO2 molecule on Nitrogen-doped TiO2 anatase nanoparticles
Adsorption of NO2 molecule on pristine and N-doped TiO2 anatase nanoparticles have been studied using the density functional theory (DFT) technique. The structural properties (such as bond lengths and bond angles) and the electronic properties (such as density of states, band structures and atomic partial charges) have been computed for considered nanoparticles. The result...
متن کاملDensity functional theory study of the adsorption of NO2 molecule on Nitrogen-doped TiO2 anatase nanoparticles
Adsorption of NO2 molecule on pristine and N-doped TiO2 anatase nanoparticles have been studied using the density functional theory (DFT) technique. The structural properties (such as bond lengths and bond angles) and the electronic properties (such as density of states, band structures and atomic partial charges) have been computed for considered nanoparticles. The result...
متن کاملTheoretical study of the interaction of harmful heroin molecule with N-doped TiO2 anatase nanoparticles
Density functional theory calculations were carried out to study the interaction of heroin molecule with pristine and N-dopedTiO2 anatase nanoparticles. The oxygen atom of heroin molecule was found to be the binding site on the heroin molecule. In contrast, the binding site of TiO2 nanoparticle was positioned over the fivefold coordinated titanium atoms. The results showed that the adsorption e...
متن کاملTheoretical study of the interaction of harmful heroin molecule with N-doped TiO2 anatase nanoparticles
Density functional theory calculations were carried out to study the interaction of heroin molecule with pristine and N-dopedTiO2 anatase nanoparticles. The oxygen atom of heroin molecule was found to be the binding site on the heroin molecule. In contrast, the binding site of TiO2 nanoparticle was positioned over the fivefold coordinated titanium atoms. The results showed that the adsorption e...
متن کاملDesign, Construction, and Validation of an Internally Lit Air-Lift Photobioreactor for Growing Algae
*Correspondence: Ben J. Stuart , 122 Stocker Center, Athens, OH 45701, USA e-mail: [email protected] A novel 28 L photobioreactor for growing algae was developed using fiber optics for internal illumination.The proposed design uses the air-lift principle to enhance the culture circulation and induce light/dark cycles to the microorganisms. Optical fibers were used to distribute photons inside the...
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ژورنال
عنوان ژورنال: Angewandte Chemie International Edition
سال: 2015
ISSN: 1433-7851
DOI: 10.1002/anie.201412165