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Synthesis, structure, and properties of new Dion-Jacobson compounds A’LnNaNb3O10 (A’ = Cs, Rb, H; Ln = Nd, Pr)
Journal of Physics and Chemistry of Solids ( IF 4.3 ) Pub Date : 2021-05-20 , DOI: 10.1016/j.jpcs.2021.110184
E.V. Syrov , O.V. Krasheninnikova , A.V. Knyazev , D.G. Fukina , E.V. Suleimanov , N.S. Volkova , A.P. Gorshkov , S.M. Smirnov

A new series of Dion-Jacobson layered perovskite compounds A’LnNaNb3O10 (A’ = Cs, Rb, H; Ln = Nd, Pr) was synthesized for the first time. Phase and chemical purity of compounds were proved using XRD, SEM, and EDX. Compounds RbNdNaNb3O10, RbPrNaNb3O10, CsNdNaNb3O10 and CsPrNaNb3O10 were synthesized using solid-state reaction, whereas HNdNaNb3O10, HPrNaNb3O10 were obtained by ion-exchange reaction. Crystal structures of solid-state reaction products were refined using the Rietveld method. The plausibility of obtained crystal structures was studied using the bond valence sum (BVS) method. The thermal behavior of compounds was established using DTA. Ion-exchange products were found to be metastable hydrates. The presence of the crystallization water was confirmed by DTA and IR spectroscopy. Optical band gap, electronegativity, valence band (EVB), and conduction band (ECB) potentials of obtained compounds were calculated from diffuse reflectance spectroscopy data. A previously proposed correlation between band gap and structural distortions was confirmed.



中文翻译:

新型Dion-Jacobson化合物A'LnNaNb 3 O 10的合成,结构和性质(A'= Cs,Rb,H; Ln = Nd,Pr)

首次合成了一系列新的Dion-Jacobson层状钙钛矿化合物A'LnNaNb 3 O 10(A'= Cs,Rb,H; Ln = Nd,Pr)。使用XRD,SEM和EDX证明了化合物的相和化学纯度。使用固相反应合成化合物RbNdNaNb 3 O 10,RbPrNaNb 3 O 10,CsNdNaNb 3 O 10和CsPrNaNb 3 O 10,而HNdNaNb 3 O 10,HPrNaNb 3 O 10通过离子交换反应获得。固态反应产物的晶体结构使用Rietveld方法精制。使用键合价和(BVS)方法研究了获得的晶体结构的合理性。使用DTA建立了化合物的热行为。发现离子交换产物是亚稳定的水合物。通过DTA和IR光谱确认了结晶水的存在。从漫反射光谱数据计算得到的化合物的光学带隙,电负性,价带(E VB)和导带(E CB)电势。证实了先前提出的带隙与结构畸变之间的相关性。

更新日期:2021-05-25
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