the structure and the electronic properties of single-walled zigzag bn and b3c2n3 nanotubes (n, 0; n=4–10) were investigated using first-principles calculations based on a density functional theory. a plane–wave basis set with periodic boundary conditions in conjunction with vanderbilt ultrasoft pseudo-potential was employed. the energy gap of zb3c2n3nts was calculated and compared with the cor...

Maxwellite NaFe(3+)(AsO4)F is an arsenate mineral containing fluoride and forms a continuous series with tilasite CaMg(AsO4)F. Both maxwellite and tilasite form a continuous series with durangite NaAl(3+)(AsO4)F. We have used the combination of scanning electron microscopy with EDS and vibrational spectroscopy to chemically analyse the mineral maxwellite and make an assessment of the molecular ...

This paper investigates the coupled axial-radial (CAR) vibration of single-walled carbon nanotubes (SWCNTs) based on doublet mechanics (DM) with a scale parameter. Two coupled forth order partial differential equations that govern the CAR vibration of SWCNTs are derived. It is the first time that DM is used to model the CAR vibration of SWCNTs. To obtain the natural frequency and dynamic respon...

In this work facile sol-gel (pechni) method has been successfully established to synthesize Zn4B6O13 nanocrystals which have cubic crystals with lattice parameter: a =7.48 A. The structure and morphology of the obtained material were studied by X-ray diffraction (XRD), Infrared spectra (IR), scanning electron microscopy (SEM) and photoluminescence analysis. The experimental results show a band ...

Citation Wee, Daehyun et al. " Effects of filling in CoSb[subscript 3] : Local structure, band gap, and phonons from first principles. " Physical Review B 81.4 (2010): 045204. Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use. The MIT Faculty has made this article openly available. Pl...

the effect of evaporation rate on structural, morphological and optical properties of electron beam evaporated cds thin films have been investigated. cds thin film deposited by electron beam evaporation method in 12nm/min and 60nm/min evaporation rates on glass substrates. x-ray diffraction, scanning electron microscopy, uv-vis-nir spectroscopy and atomic force microscopy were used to character...

In this paper, titanium dioxide nano-particles were synthesized by sol-gel method in acidic atmosphere. The microstructure, morphology, optical band gap, and hydrophilicity of the sample were studied. Optical band gap of titanium dioxide was probed via Diffuse Reflectance Spectra (DRS) and contact angle (CA) was measured to investigate surface activity. XRD analysis was used to study crys...