Browsing by Author "Yang, H"

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    Evaluation of polymorphism and charge transport in a BaO–CaO–Ta2O5 perovskite phase diagram using TOF-neutron and synchrotron X-ray diffraction, the bond-valence method and impedance spectroscopy
    (Royal Society of Chemistry (RSC), 2022-10-26) Singh, K; Yang, H; Zhang, Z; Avdeev, M; Huq, Ashfia; Wu, DY; Lee, JJ; Kan, WH; Thangadurai, V
    Among the alkaline earth-based perovskite oxides, the Ba-based perovskites have superior chemical stability and tunable electrical/catalytic property via chemical substitution/doping. One of the best-known examples is Ba3Ca1.18Nb1.82O8.73 as a ceramic proton conductor for all-solid-state steam electrolysis and solid oxide fuel cells (SOFCs). Structural ordering variation is often driven by chemical composition, which directly correlates with their chemical/physical properties. In the present work, we develop a comprehensive functional perovskite-type phase diagram for the Ba–Ca–Ta–O quaternary system Ba3Ca1+xTa2−xO9−3x/2 (0 ≤ x ≤ 0.36) with a wide chemical composition between 1000 and 1550 °C, coupled with theoretical calculations to investigate the cation ordering in supercells. Furthermore, the impact of cation clustering on the diffusion pathways of O2− ions was evaluated as a case study. Experimentally, precise cation ordering and other structural features are quantitively determined by TOF-neutron and synchrotron X-ray diffraction analyses. This work provides a comprehensive evaluation of some potential applications of the Ba–Ca–Ta–O quaternary system. The electrochemical impedance data were also systematically studied by impedance spectroscopy genetic programming (ISGP). The electrical conductivity was found to increase from x = 0 to x = 0.27 and then decrease for the end member when x = 0.36 due to a decrease in mobile charge carrier concentration. Interestingly, in dry air, the electrical conductivity was found to increase from x = 0 to x = 0.36. However, only Ba3Ca1.18Ta1.82O8.73 (BCT18) and Ba3Ca1.27Ta1.73O8.595 (BCT27) were found to show an increasing trend in conductivity in humid atmospheres, and this indicates that the clustering effect was pO2 dependent. © Royal Society of Chemistry 2024
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    High-yield synthesis and crystal structure of a green Au30 cluster co-capped by thiolate and sulfide
    (Royal Society of Chemistry, 2016-09-24) Yang, H; Wang, Y; Edwards, AJ; Yana, J; Zheng, N
    A green gold-cluster, Au30S(StBu)18, was successfully prepared in high yield and crystallographically characterized. Each cluster consists of an Au22 core capped by a mixed layer of staple Au-thiolate units, bridging thiolates and a μ3-S2−.© 2014, The Royal Society of Chemistry.
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    Response of intergrown microstructure to an electric field and its consequences in the lead-free piezoelectric bismuth sodium titanate
    (Elsevier, 2012-03) Liu, Y; Norén, L; Studer, AJ; Withers, RL; Guo, YP; Li, YX; Yang, H; Wang, J
    We investigate the R3c average structure and micro-structure of the ceramic Bi 0.5Na 0.5TiO 3 (BNT) in situ under applied electric fields using diffraction techniques. Electron diffraction implies the presence of significant octahedral tilt twin disorder, corresponding to the existence of a fine scale intergrown microstructural (IGMS) 'phase' within the R3c rhombohedral average structure matrix. A careful neutron refinement suggests not only that the off-centre displacements of the cations relative to the oxygens in the R3c regions increases systematically on application of an electric field but also that the phase fraction of the IGMS regions increases systematically. The latter change in phase fraction on application of the electric field enhances the polar displacement of the cations relative to the oxygen anions and affects the overall strain response. These IGMS regions form local polar nano regions that are not correlated with one another, resulting in polarisation relaxation and strain behaviour observed in BNT-containing materials. © 2012 Elsevier Inc. All rights reserved.