Black Current: Structure, Characterization, and Optoelectronic Properties of Ce3Cl3[MoO6]

The admixture of CeO2, Ce, CeCl3, and MoO3 with an excess of LiCl as flux in evacuated silica ampules leads to large black single crystals as well as a black microcrystalline powder of Ce3Cl3[MoO6] after tempering at 850 °C for three days. The title compound crystallizes in the hexagonal space group...

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Veröffentlicht in:Chemistry : a European journal Jg. 25; H. 33; S. 7921 - 7926
Hauptverfasser: Dorn, Katharina V., Blaschkowski, Björn, Bamberger, Heiko, van Slageren, Joris, Doll, Klaus, Claus, Ralf, Matsumoto, Yosuke, Takagi, Hidenori, Hartenbach, Ingo
Format: Journal Article
Sprache:Englisch
Veröffentlicht: Weinheim Wiley Subscription Services, Inc 12.06.2019
Schlagworte:
Admixtures
Ampules
Cerium
Cerium oxides
Chemistry
Crystal structure
Crystals
density functional calculations
Diffuse reflectance spectroscopy
Energy gap
EPR spectroscopy
I.R. radiation
Ions
Irradiation
Lithium chloride
Molecular orbitals
Molybdenum
Molybdenum oxides
Molybdenum trioxide
optoelectronic properties
Optoelectronics
oxidomolybdates
Powder
Silica
Silicon dioxide
Single crystals
Spectroscopy
Structural analysis
Unit cell
ISSN:0947-6539, 1521-3765, 1521-3765
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Zusammenfassung:The admixture of CeO2, Ce, CeCl3, and MoO3 with an excess of LiCl as flux in evacuated silica ampules leads to large black single crystals as well as a black microcrystalline powder of Ce3Cl3[MoO6] after tempering at 850 °C for three days. The title compound crystallizes in the hexagonal space group P63/m (a=934.93(4), c=538.86(2) pm) with two formula units per unit cell. The crystal structure consists of rather unusual trigonal‐prismatic [MoO6]6− units besides Ce3+ ions in a tetra‐capped trigonal‐prismatic coordination, formed by four Cl− and six O2− ions. The black color is related to an optical band gap of 1.35(2) eV, which was determined by diffuse reflectance spectroscopy and confirmed by theoretical calculations. The low band gap between the 4f1 state of cerium (HOMO) and the 5d0 state of molybdenum (LUMO) gave rise to the idea of electronic excitation between these two states by IR irradiation, creating a drop in the resistivity of the material, which was detected by appropriate measurements. Switchable black: The black compound Ce3Cl3[MoO6] was obtained through solid‐state reactions and comprises trigonal‐prismatic [MoO6]6− entities. The material shows notable spectroscopic properties regarding the dependency of its specific resistivity under irradiation with IR light (see figure).
Bibliographie:ObjectType-Article-1
SourceType-Scholarly Journals-1
ObjectType-Feature-2
content type line 14
ISSN:0947-6539
1521-3765
1521-3765
DOI:10.1002/chem.201901038