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O-2 sensing dynamics of BiFeO3 nanofibers: effect of minor carrier compensation

机译：BiFeO3纳米纤维的O-2感测动力学：微小载流子补偿的影响

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摘要

In this paper we investigate O-2 sensing dynamics in BiFeO3 (BFO) nanofibers at various concentrations and temperatures, by using a combined experiment and computer simulation approach. Samples of pristine BFO, Ni-doped BFO, and Pb-doped BFO nanofibers were prepared. By incorporating Ni and Pb, additional acceptor states are introduced in BFO. Density functional theory calculations show that Ni prefers to substitute Fe site while Pb substitutes Bi site, resulting in a new deep donor originating from Ni interstitial defects, along with oxygen vacancies (V-o). We find that both the sensing response and recovery time are shorter in samples made of pristine BFO nanofibers than in Ni- and Pb-doped nanofiber samples. We interpret the observed sensing dynamics through charge transport theory of the major (acceptors) and minor (donors) carriers, and found that the minor carrier compensation plays a significant role in determining the response and recovery time of the sensor device. This minor carrier compensation charge transport mechanism will provide new insights into more robust sensor development strategies, and into the research of ion-electron coupling in chemical dynamics of semiconductors.
机译：在本文中，我们通过结合实验和计算机模拟方法研究了BiFeO3（BFO）纳米纤维在不同浓度和温度下的O-2感应动力学。制备了原始BFO，Ni掺杂BFO和Pb掺杂BFO纳米纤维的样品。通过掺入镍和铅，在BFO中引入了其他受体态。密度泛函理论计算表明，Ni倾向于替代Fe位置，而Pb替代Bi位置，导致新的深施主源于Ni间隙缺陷以及氧空位（V-o）。我们发现，由原始BFO纳米纤维制成的样品的传感响应和恢复时间都比掺杂Ni和Pb的纳米纤维样品短。我们通过主要（受体）和次要（供体）载流子的电荷传输理论解释了观察到的传感动力学，并发现次要载流子补偿在确定传感器设备的响应和恢复时间方面起着重要作用。这种较小的载流子补偿电荷传输机制将为更鲁棒的传感器开发策略以及半导体化学动力学中的离子电子耦合研究提供新见解。

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