Putilov Lev, Tsidilkovski Vladislav
Institute of High-Temperature Electrochemistry, 20 Akademicheskaya St., 620990 Ekaterinburg, Russia.
Materials (Basel). 2022 Jul 8;15(14):4795. doi: 10.3390/ma15144795.
Barium stannate is known as a promising proton-conducting material for clean energy applications. In this work, we elucidate the effect of the interaction of protons and oxygen vacancies with acceptor impurities on proton conduction in acceptor-doped BaSnO. The analysis relies on our theoretical developments in hydration and proton hopping in proton-conducting perovskites. The transport theory, based on the master equation and effective medium approximation, provides the analytical description of hopping conduction considering the effects of disorder and changes in the potential energy landscape for protons caused by acceptor impurities. Using the proposed approach, we establish the dependence of the proton mobility and conductivity on the energies of the acceptor-bound states of ionic defects and external conditions. It is shown that the considered interactions can substantially affect the effective activation energies and prefactors of these transport coefficients. We also demonstrate that the correlation between the ionic radius of an acceptor impurity and the energies of its interaction with ionic defects leads to a non-monotonic dependence of the proton conductivity on . The obtained results are in reasonable agreement with the experimental data on the bulk conductivity of BaSnO doped with different acceptors.
锡酸钡被认为是一种有前途的用于清洁能源应用的质子传导材料。在这项工作中，我们阐明了质子和氧空位与受主杂质的相互作用对受主掺杂的BaSnO中质子传导的影响。该分析依赖于我们在质子传导钙钛矿中的水合作用和质子跳跃方面的理论进展。基于主方程和有效介质近似的输运理论，考虑了无序效应以及受主杂质引起的质子势能景观变化，提供了跳跃传导的解析描述。使用所提出的方法，我们确定了质子迁移率和电导率与离子缺陷的受主束缚态能量以及外部条件的依赖关系。结果表明，所考虑的相互作用会显著影响这些输运系数的有效活化能和前置因子。我们还证明，受主杂质的离子半径与其与离子缺陷相互作用能量之间的相关性导致质子电导率对其呈现非单调依赖性。所得结果与不同受主掺杂的BaSnO体电导率的实验数据合理吻合。
