Unravelling the Synergy between Oxygen Vacancies and Oxygen Substitution in BiO2-x for Efficient Molecular-Oxygen Activation
Unravelling the Synergy between Oxygen Vacancies and Oxygen Substitution in BiO2-x for Efficient Molecular-Oxygen Activation
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DOI：
10.1002/anie.201914001
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发表时间：
2020-02-06
影响因子：
16.6
通讯作者：
Zhan, Sihui
中科院分区：
文献类型：
--
作者：
Mao, Yueshuang;Wang, Pengfei;Zhan, Sihui
纳米材料中的缺陷通常会导致其原始对应物中不存在的特性。迄今为止，大多数研究都集中在单一缺陷的影响，而忽略了多个缺陷的协同作用。在这项研究中，光催化O-2激活模型被选择来解开的双重缺陷的作用，通过装饰氧化铋与表面O空位和体O取代同时进行。双缺陷的引入导致了空间和电子的协同过程：i）O取代在BiO 2-x体中诱导了局部电场，促进了电子和空穴在其产生后立即发生体分离; ii）O空位有效地降低了导带，充当了电子的捕获中心，从而促进了O-2的吸附和活化。体氧替代的共存极大地促进了这种效应，DFT计算表明，只有在O空位附近的O替代才能产生这种效应。
Defects in nanomaterials often lead to properties that are absent in their pristine counterparts. To date, most studies have focused on the effect of single defects, while ignoring the synergy of multiple defects. In this study, a model of photocatalytic O-2 activation was selected to unravel the role of dual defects by decorating bismuth oxide with surface O vacancies and bulk O substitution simultaneously. The introduction of dual defects led to a spatial and electronic synergistic process: i) O substitution induced a local electric field in the bulk of BiO2-x, which promoted bulk separation of electrons and holes immediately after their generation; ii) O vacancies efficiently lowered the conduction band, served as the capture center for electrons, and thus facilitated the adsorption and activation of O-2. This effect was greatly promoted by the coexistence of bulk O substitution, and DFT calculations showed that only O substitution near an O vacancy could have this effect.