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Black Current: Structure, Characterization, and Optoelectronic Properties of Ce3Cl3[MoO6]
Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK). University of Stuttgart, Germany.ORCID iD: 0000-0002-9284-5101
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Number of Authors: 92019 (English)In: Chemistry - A European Journal, ISSN 0947-6539, E-ISSN 1521-3765, Vol. 25, no 33, p. 7921-7926Article in journal (Refereed) Published
Abstract [en]

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 degrees C for three days. The title compound crystallizes in the hexagonal space group P6(3)/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 4f(1) state of cerium (HOMO) and the 5d(0) 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.

Place, publisher, year, edition, pages
2019. Vol. 25, no 33, p. 7921-7926
Keywords [en]
cerium, density functional calculations, EPR spectroscopy, optoelectronic properties, oxidomolybdates
National Category
Chemical Sciences
Identifiers
URN: urn:nbn:se:su:diva-170849DOI: 10.1002/chem.201901038ISI: 000471132500021PubMedID: 30972829OAI: oai:DiVA.org:su-170849DiVA, id: diva2:1339162
Available from: 2019-07-26 Created: 2019-07-26 Last updated: 2019-07-26Bibliographically approved

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