Starting from an initial 2D structure, energy minimizations are not able to produce the observed layering within soot with either force field. Quantum mechanical calculations on smaller soot fragments were carried out. The interaction of pyrene with the model soot was simulated. 3) force fields were tested for their ability to produce realistic soot nanoparticle structure. 1183 - 1187, 2007.Molecular simulations (energy minimizations and molecular dynamics) of an n-hexane soot model developed by Smith and co-workers (M. Gümüş, Ulutaş, C., and Ufuktepe, Y., “ Optical and structural properties of manganese sulfide thin films”, Optical Materials, vol. These pages are a work in progress and we solicit input from knowledgeable parties around the world for more accurate or additional information. The work was fully supported by the US National Science Foundation under the Materials World Network program award 1008302. Caitlin Arndt, Christian Robert, Katie Furse, Jash Sayani, and Liz Lund also contributed. 1965.ĭeveloped at the University of Utah primarily by undergraduate students Jeff Provost and Carina Hahn working with Prof. “On the Properties of α-MnS and MnS 2,” ACTA Chemica Scandinavica, Vol. “Electrical Properties of α-MnS,” Journal of Physics and Chemistry of Solids, vol. “Optical and Structural Properties of Manganese Sulfide Thin Films,” Optical Materials, vol. Lokhande et al. “Process and Characterization of Chemical Bath Deposited Manganese Sulphide (MnS) Thin Films,” Thin Solid Films, vol. Program and Abstracts of the 19th General Meeting of the International Mineralogical Association in Kobe, Japan. Downs R T (2006) The RRUFF Project: an integrated study of the chemistry, crystallography, Raman and infrared spectroscopy of minerals. Thermal properties : Linear thermal expansion coefficients β for α-MnS are The optical energy gap E g = 3.88 eV was found. photon energy can be seen at reference 7. Maximum Birefringence: δ = 0.000 - Isotropic minerals have no birefringenceĪ graph of the optical transmission spectra of MnS showing the peak maximum points and the peak minimum points can be seen at reference 7.Ī graph of the variation of refractive index n versus wavelength for a MnS thin film can be seen at reference 7.Ī graph of α 2 (absorption coefficient) vs. The mobility of these holes are not thermally activated.
MnS thin films can be deposited at room temperature by chemical bath depositionĭonors and Acceptors : Donors are substitutional iodine and acceptors are manganese vacancies for p-type α-MnS.īasic Parameters of Electrical Properties : For p-type α-MnS, conductivity occurs from holes in a 3 d-band (Mn 3+).
Β and γ types MnS can transform irreversibly to the stable α type MnS at 100–400 ☌ MnS is a dilute magnetic semiconductor that is used in solar cells as a window/ buffer layer X-ray diffraction pattern for MnS showing peak intensities can be found in reference 4.įind and list the crystal structure, atom positions, and create a Crystal Maker Model Morphology: Crystals cubic or octahedral, to 1 cm. Unit Cell Volume: V 142.53 ų (Calculated from Unit Cell) MnS thin films can be found in several forms: the cubic modification having the rock-salt type structure (α-MnS), the zinc-blende-type (β-MnS), or wurtzite-type structure (γ-MnS) 1.Ĭlass (H-M): m3 m (4/ m 3 2/ m) - Hexoctahedral
0 kommentar(er)
