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首页> 外文期刊>The journal of physical chemistry, C. Nanomaterials and interfaces >Dopant Concentration and Short-Range Structure Dependence of Diffusional Proton Dynamics in Hydrated BaIn_xZr_(1-x)O_(3-x/2)(x = 0.10 and 0.50)
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Dopant Concentration and Short-Range Structure Dependence of Diffusional Proton Dynamics in Hydrated BaIn_xZr_(1-x)O_(3-x/2)(x = 0.10 and 0.50)

机译：水合BaIn_xZr_（1-x）O_（3-x / 2）（x = 0.10和0.50）中的扩散质子动力学的掺杂剂浓度和短程结构依赖性

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摘要

We investigate proton self-dynamics in the acceptor-doped and hydrated proton-conducting perovskite-type oxides BaIn_xZr_(1-x)O_(3-x/2) (x = 0.10 and 0.50) on a microscopic length scale for temperatures in the range 470-525 K, using neutron spin-echo spectroscopy. For the highly doped material (x = 0.50), we observe a wide range of translational diffusional rates of the protons in the structure, on the nanosecond time scale and with an effective activation energy of about 0.75 eV. The wide distribution of diffusional rates is related to the In-doping, which creates local structural distortions of the average cubic structure and thus many structurally different configurations of the protons, each with slightly different energy barriers for the protonic motion. For the weakly doped material (x = 0.10), which has a more ordered local structure, the results show proton dynamics on a much more well-defined time scale, ～60 ps at 500 K, but also suggest that a significant part of the protons in the structure are "immobile" within the experimental neutron spin-echo time window (～5 ps to 1.3 ns). Furthermore, the results indicate that the dopant atoms affect the proton diffusion in a nonlocalized manner and not as well-localized trapping centers.
机译：我们在微观长度尺度上研究了掺杂和水合质子传导钙钛矿型氧化物BaIn_xZr_（1-x）O_（3-x / 2）（x = 0.10和0.50）中的质子自动力学。范围是470-525 K，使用中子自旋回波光谱法。对于高掺杂材料（x = 0.50），我们观察到质子在结构中的平移扩散速率范围很广，在纳秒级时标上，有效活化能约为0.75 eV。扩散速率的广泛分布与In掺杂有关，In掺杂会造成平均立方结构的局部结构变形，从而导致质子的许多结构不同的构型，每个质子运动的能垒略有不同。对于具有更有序局部结构的弱掺杂材料（x = 0.10），结果显示质子动力学在更明确的时间范围内（500 K时约为60 ps），但也表明了在实验中子自旋回波时间窗口（约5 ps至1.3 ns）内，结构中的质子“不动”。此外，结果表明，掺杂原子以非局部方式而不是局部良好的俘获中心影响质子扩散。

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