0428同步年報-2021-全

Energy Science 065 the Ga1 and Ga2 sites, the actual maximum obtainable amounts of Sc 3+ in the Ga 2− x Sc x O 3 :Cr 3+ of x = 1.0 and 1.2 were 0.880, as calculated from the Rietveld refinement, proving that Sc 3+ could no longer be incorporated into the host. Moreover, when Sc 3+ ions were doped into the Ga 2 O 3 structure, a strongly preferred occupation of Sc 3+ ions at site Ga2 was observed due to the larger polyhedral volume at that site, as shown in Fig. 1(c) . The maximum doping occupation value at Ga2 was approximately 0.87, indicating that Sc 3+ cannot completely occupy the Ga2 site. This result leads to a random distribution of Ga 3+ and Sc 3+ ions at the Ga2 site, further affecting the photoluminescent properties. In summary, synchrotron XRD with Rietveld refinement proved that pure phases were obtained. but lattice parameters were not changed as expected at large Sc 3+ concentrations. Despite the strongly preferred occupation of Sc 3+ at the octahedrally coordinated Ga2 site, only partial substitution ( x = 0.87) was achievable. This work could motivate further research on unexpected partial substitution during the solid solution. (Reported by Yan-Gu Lin) This report features the work of Ru-Shi Liu and his collaborators published in ACS Energ. Lett. 6 , 109 (2021) . TLS 01C2 X-ray Powder Diffraction • XRD • Materials Science, Surface, Interface and Thin Films, Condensed-matter Physics Reference 1. M.-H. Fang, K.-C. Chen, N. Majewska, T. Leśniewski, S. Mahlik, G. Leniec, S. M. Kaczmarek, C.-W. Yang, K.-M. Lu, H.-S. Sheu, R.-S. Liu, ACS Energ. Lett. 6 , 109 (2021). Fig. 1 : Structural analysis of Ga 2– x Sc x O 3 :Cr 3+ ( x = 0, 0.2, 0.4, 0.6, 0.8, 1.0, and 1.2). (a) Synchrotron XRD patterns, (b) refined lattice parameters and (c) occupancy of Sc 3+ ions in Ga1, Ga2 and Ga1+Ga2 sites. [Reproduced from Ref. 1]