dc.contributor.author | Liang, I.-C. | en |
dc.contributor.author | Bilc, D. I. | en |
dc.contributor.author | Manoli, M. | en |
dc.contributor.author | Chang, W.-Y. | en |
dc.contributor.author | Lin, W.-F. | en |
dc.contributor.author | Kyratsi, Theodora | en |
dc.contributor.author | Hsu, K. F. | en |
dc.creator | Liang, I.-C. | en |
dc.creator | Bilc, D. I. | en |
dc.creator | Manoli, M. | en |
dc.creator | Chang, W.-Y. | en |
dc.creator | Lin, W.-F. | en |
dc.creator | Kyratsi, Theodora | en |
dc.creator | Hsu, K. F. | en |
dc.date.accessioned | 2019-05-06T12:24:04Z | |
dc.date.available | 2019-05-06T12:24:04Z | |
dc.date.issued | 2016 | |
dc.identifier.uri | http://gnosis.library.ucy.ac.cy/handle/7/48580 | |
dc.description.abstract | Two new metal chalcoiodides were synthesized by solid-state reactions at 400 °C. Crystal Data: Bi2CuSe3I, 1, monoclinic, C2/m, a=14.243(2) Å, b=4.1937(7) Å, c=14.647(2) Å, β=116.095(2)°, V=785.7(2) Å3, and Z=4 | el |
dc.description.abstract | Bi6Cu3S10I, 2, orthorhombic, Pnma, a=17.476(2) Å, b=4.0078(4) Å, c=27.391(2) Å, V=1918.5(3) Å3, and Z=4. Compound 1 adopts a three-dimensional structure formed by two alternative layers, which consist of BiSe5 square pyramids, BiSe4I2 octahedra, CuSe4 tetrahedra, and CuSe2I2 tetrahedra. Compound 2 possesses a new open framework built up of BiS5 square pyramides, BiS6 octahedra, BiS8 polyhedra, and CuS4 tetrahedra where I- anions are uniquely trapped within the tunnels. Both electronic structures reveal that bismuth and chalcogenide orbitals dominate the bandgaps. The Cu d and I p states contribute to the top of valence bands, in which the distribution of I orbitals may correspond to the relative bonding interactions in 1 and 2. The optical bandgaps determined by the diffuse reflectance spectra are 0.68 eV and 0.72 eV for 1 and 2, respectively. 1 is a p-type semiconductor with high Seebeck coefficients of 460-575 μV/K in the temperature range of 300-425 K. The electrical conductivity is 0.02 S/cm at 425 K for the undoped sample. The thermal conductivity is 0.22 W/mK at 425 K. © 2015 Elsevier Inc. All rights reserved. | en |
dc.language.iso | eng | en |
dc.source | Journal of Solid State Chemistry | en |
dc.subject | Geometry | en |
dc.subject | Energy gap | en |
dc.subject | Crystal structure | en |
dc.subject | Electric conductivity | en |
dc.subject | Thermal conductivity | en |
dc.subject | Temperature range | en |
dc.subject | Electronic structure | en |
dc.subject | Solid state reactions | en |
dc.subject | Electrical conductivity | en |
dc.subject | Seebeck coefficient | en |
dc.subject | Bonding interactions | en |
dc.subject | Density of state | en |
dc.subject | Density of states | en |
dc.subject | Diffuse reflectance spectrum | en |
dc.subject | Electronic band structure | en |
dc.subject | Metal chalcoiodide | en |
dc.subject | P type semiconductor | en |
dc.subject | Three-dimensional structure | en |
dc.title | Syntheses, crystal Structures and electronic Structures of new metal chalcoiodides Bi2CuSe3I and Bi6Cu3S10I | en |
dc.type | info:eu-repo/semantics/article | |
dc.identifier.doi | 10.1016/j.jssc.2015.09.030 | |
dc.description.volume | 234 | |
dc.description.startingpage | 1 | |
dc.description.endingpage | 8 | |
dc.author.faculty | Πολυτεχνική Σχολή / Faculty of Engineering | |
dc.author.department | Τμήμα Μηχανικών Μηχανολογίας και Κατασκευαστικής / Department of Mechanical and Manufacturing Engineering | |
dc.type.uhtype | Article | en |
dc.contributor.orcid | Kyratsi, Theodora [0000-0003-2916-1708] | |
dc.description.totalnumpages | 1-8 | |
dc.gnosis.orcid | 0000-0003-2916-1708 | |