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Issue 6, 2018
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Na6Zn3MIII2Q9 (MIII = Ga, In; Q = S, Se): four new supertetrahedron-layered chalcogenides with unprecedented vertex-sharing T3-clusters and desirable photoluminescence performances

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Abstract

Four new quaternary chalcogenides with the formula of Na6Zn3MIII2Q9 (MIII = Ga, In; Q = S, Se) have been successfully synthesized for the first time. They are isostructural and crystallize in the monoclinic C2/c space group. As seen from their structures, they exhibit two opposite direction layers composed of the interconnection of countless (Zn/MIII)10Q20 supertetrahedra (T3-type) clusters, and then three coordination-type NaQn units (n = 4–6) exist among the interlayers to bridge them together. Note that these T3 clusters connect with each other by vertex-sharing to form the layers in the title compounds, which can be viewed as the first discovered examples in the known quaternary chalcogenides that only exhibit the tetrahedron-sharing T3 clusters. Moreover, we have also systematically compared the structural differences of all the T3-containing quaternary chalcogenides and the result shows that the title compounds possess the shortest interlayer spacing and more tilting T3 cluster-built layers in comparison with other related compounds. The measured optical properties indicate that their optical bandgaps are in the range from 2.22 to 3.15 eV, respectively. The photoluminescence result shows that the title compounds have potential application prospects as blue and green light emitters in view of their obvious emission peaks centered at 463 and 541 nm. Electronic structures and density of states were also calculated by first-principles calculations and the results indicate that their optical bandgaps are mainly determined by the T3 clusters.

Graphical abstract: Na6Zn3MIII2Q9 (MIII = Ga, In; Q = S, Se): four new supertetrahedron-layered chalcogenides with unprecedented vertex-sharing T3-clusters and desirable photoluminescence performances

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Publication details

The article was received on 27 Feb 2018, accepted on 09 Apr 2018 and first published on 10 Apr 2018


Article type: Research Article
DOI: 10.1039/C8QI00182K
Citation: Inorg. Chem. Front., 2018,5, 1415-1422
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    Na6Zn3MIII2Q9 (MIII = Ga, In; Q = S, Se): four new supertetrahedron-layered chalcogenides with unprecedented vertex-sharing T3-clusters and desirable photoluminescence performances

    A. Abudurusuli, K. Wu, Y. Rouzhahong, Z. Yang and S. Pan, Inorg. Chem. Front., 2018, 5, 1415
    DOI: 10.1039/C8QI00182K

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