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Layered Oxychalcogenides: Structural Chemistry and Thermoelectric Properties CORE Metadata, citation and similar papers at core.ac.uk Provided by Elsevier - Publisher Connector Available online at www.sciencedirect.com ScienceDirect J Materiomics 2 (2016) 131e140 www.ceramsoc.com/en/ www.journals.elsevier.com/journal-of-materiomics/ Layered oxychalcogenides: Structural chemistry and thermoelectric properties Son D.N. Luu a,b, Paz Vaqueiro b,* a Institute of Chemical Sciences, Heriot-Watt University, Edinburgh, EH14 4AS, UK b Department of Chemistry, University of Reading, Whiteknights, Reading, RG6 6AD, UK Received 16 February 2016; revised 18 March 2016; accepted 3 April 2016 Available online 8 April 2016 Abstract Layered oxychalcogenides have recently emerged as promising thermoelectric materials. The alternation of ionic oxide and covalent chalcogenide layers found in these materials often results in interesting electronic properties, and also facilitates the tuning of their properties via chemical substitution at both types of layers. This review highlights some common structure types found for layered oxychalcogenides and their interrelationships. This review pays special attention to the potential of these materials for thermoelectric applications, and provides an overview of the thermoelectric properties of materials of current interest, including BiCuSeO. © 2016 The Chinese Ceramic Society. Production and hosting by Elsevier B.V. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/). Keywords: Oxychalcogenides; Layered structures; Thermoelectric; BiCuSeO Contents 1. Introduction .................................................................................................................. 132 2. Structural chemistry of layered oxychalcogenides .............................................................................. 132 2.1. Common building blocks ............................................................................................... 132 2À 2À 2.2. Materials containing sheets of Q and (Q2) anions . ................................................................ 133 2.3. Materials containing fluorite-like oxide blocks and transition-metal chalcogenide blocks ................................. 134 2.4. Materials adopting the [AO][BQ2] structure and related structures ....................................................... 135 2.5. Materials adopting the [A2MO2][B2Q2] structure and anti-type variants . ............................................... 135 2.6. Materials containing thicker oxide layers ............................................................................... 135 2.7. Materials containing thicker chalcogenide layers ........................................................................ 136 3. Thermoelectric properties of oxychalcogenides ................................................................................ 136 4. Concluding remarks .......................................................................................................... 137 Acknowledgement ............................................................................................................ 138 References .................................................................................................................... 138 * Corresponding author. E-mail address: [email protected] (P. Vaqueiro). Peer review under responsibility of The Chinese Ceramic Society. http://dx.doi.org/10.1016/j.jmat.2016.04.002 2352-8478/© 2016 The Chinese Ceramic Society. Production and hosting by Elsevier B.V. This is an open access article under the CC BY-NC-ND license (http:// creativecommons.org/licenses/by-nc-nd/4.0/). 132 S.D.N. Luu, P. Vaqueiro / J Materiomics 2 (2016) 131e140 1. Introduction anode material for Li-ion batteries, with a stable specific ca- pacity up to 627 mA h gÀ1 after 180 chargeerecharge cycles [2]. Layered oxychalcogenides are mixed-anion compounds, in Sm2Ti2S2O5 has attracted considerable attention as a photo- which oxide and chalcogenide anions (Group 16) indirectly catalyst for water splitting [3], and LaOCuS is considered a bound via one or more cations, creating a stack of alternating promising p-type transparent semiconductor for optoelectronic oxide and chalcogenide layers. The coexistence of ionic oxide applications [4]. Superconductivity has been recently reported anions and more covalent chalcogenide anions leads to a highly in bismuth oxysulfides, although the Tc is rather low ~4.5 K distinctive structural chemistry. Owing to the preference of [5e7]. An improvement of the superconducting properties of 2À “hard” non-polarisable cations to coordinate to smaller oxide compounds containing [BiS2] layers has been found in elec- anions, while “soft” more polarisable cations preferentially tron doped NdO0.5F0.5BiS2 (Tc ~5K)[8] or LaO1ÀxFxBiS2 coordinate to larger chalcogenide anions, quaternary oxy- (Tc ~ 10.6 K) [9]. chalcogenides tend to adopt structures in which oxide and Although oxychalcogenides can also adopt structures chalcogenide anions are segregated, with each coordinating without low-dimensional characteristics, as exemplified by preferentially to one type of cation, as early noted by Guittard Eu5V3S6O7 and La10Se14O [10], throughout this review we et al. [1]. This often results in structures with low-dimensional restrict our scope to layered oxychalcogenides, with a partic- characteristics, and structural low dimensionality may lead to ular focus on their potential for thermoelectric applications. highly anisotropic electronic band structures, together with The structures of some families of layered oxychalcogenides interesting electronic properties. In addition, the covalent have been previously reviewed [1,11,12]. character of the chalcogenide layers promotes high-mobility semiconduction, whereas low thermal conductivity is fav- 2. Structural chemistry of layered oxychalcogenides oured by the more ionic interactions of the oxide blocks. The alternation of distinct layers found in oxychalcogenides also 2.1. Common building blocks facilitates the tuning of their properties via chemical substitu- tion at both the oxide and chalcogenide layers. The coexistence Structures of layered oxychalcogenides can be described as of low-dimensionality together with covalent and ionic bonding a combination of two (or more) types of building blocks. offers great potential for thermoelectric applications, and can Certain inorganic slabs, such as perovskite, fluorite, or rock- also result in a wide range of unexpected and fascinating salt blocks, which are encountered in many structures, can properties. For instance, Ce2O2S nanoparticles anchored on be considered as two-dimensional building blocks, and layered graphitised carbon has been recently found to be a promising structures in which two or more types of such building blocks Table 1 Common building blocks found in oxychalcogenides. Structure Unit cell Building block slab Key 2þ Fluorite (CaF2) Ca (blue) FÀ (green) þ Antifluorite (Na2O) Na (blue) O2À (red) Rock-salt (NaCl) Naþ (yellow) ClÀ (green) 2þ Perovskite (SrTiO3) Sr (green) Ti4þ (blue) O2À (red) S.D.N. Luu, P. Vaqueiro / J Materiomics 2 (2016) 131e140 133 2À 2À 2.2. Materials containing sheets of Q and (Q2) anions Three related families of materials containing sheets of Q2À 2À and/or (Q2) anions, which alternate with oxide slabs, are 2À known. Planar sheets of Q anions are found in [A2O2]Q, 2À 2À while [A4O4](Q2)(Q) contains both Q and (Q2) , and in 2À [A2O2]Q2 only (Q2) anions are present. The crystal structures of materials with stoichiometry [A2O2]Q, where A is rare earth element (LaeYb, Y, Lu) or Bi, 2þ 2À and Q is S, Se or Te, consist of alternating [A2O2] and Q layers. The oxygen anions are tetrahedrally coordinated by 3þ 2À A cations, forming A4O tetrahedra, while the Q anions form a planar chalcogenide array. Two distinct structure types are found, which differ markedly on the nature of the 2þ [A2O2] layers. Materials containing the heavier chalcogen Te, including [A2O2]Te (A ¼ LaeNd, Sm-Ho, Bi) [13,14] as well as the oxyselenide Bi2O2Se [15], crystallise in the tetragonal (space group I4/mmm) anti-ThCr2Si2 structure type (Fig. 1a), while most of the remaining compounds ([A2O2]Q with A ¼ LaeYb, Y, Lu; Q ¼ S, Se) [16e19] crystallise in the trigonal (space group P3m1) structure (Fig. 1b) of La2O3. The structure of Bi2O2S, which is closely related to the anti- ThCr2Si2 type, has been described by Koyama et al. in an orthorhombic space group (Pnnm). This structure appears to be a slightly distorted form of the tetragonal structure of Fig. 1. Crystal structures with stoichiometry [A2O2]Q: (a) anti-ThCr2Si2 type 2þ along [010]; (b) La2O3 type along [100]; (c) polyhedral view of the [A2O2] Bi2O2Se [20]. The anti-ThCr2Si2 structure is also adopted by ¼ ¼ layer in the La2O3 type structure, with the OA4 tetrahedra shown in blue. Unit the oxypnictides [A2O2]X (A rare-earth element, X Sb, cells are shown. Key: A, blue circles; O, red circles; Q, yellow circles. Bi) [21,22]. A commensurately modulated structure, arising from the distortion of the square nets of the pnictide ions, are stacked along a given direction, can be generated. Table 1 results in a lowering of the symmetry for Pr2O2Sb [23], but the presents four common building blocks found in layered oxy- single crystal study of Bi2O2S provides no evidence for a chalcogenides. In each case, the parent structure is shown, as modulated structure [20]. well as a two-dimensional slab derived from each parent In the tetragonal anti-ThCr2Si2 structure,
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