Abstract Charge separation and transfer at the interface between two materials play a significant role in various atomic-scale processes and energy conversion systems. In this review, we present the mechanism and outcome of charge transfer in TiO 2 , which is extensively explored for photocatalytic applications in the field of environmental science. We list several experimental and computational methods to estimate the amount of charge transfer. The effects of the work function, defects and doping, and employment of external electric field on modulating the charge transfer are presented. The interplay between the band bending and carrier transport across the surface and interface consisting of TiO 2 is discussed. We show that the charge transfer can also strongly affect the behavior of deposited nanoparticles on TiO 2 through built-in electric field that it creates. This review encompasses several advances of composite materials where TiO 2 is combined with two-dimensional materials like graphene, MoS 2 , phosphorene, etc. The charge transport in the TiO 2 -organohalide perovskite with respect to the electron-hole separation at the interface is also discussed.

中文翻译：

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TiO2电荷转移与化学活性研究进展：机理与应用

摘要 两种材料界面处的电荷分离和转移在各种原子尺度过程和能量转换系统中起着重要作用。在这篇综述中，我们介绍了 TiO 2 电荷转移的机制和结果，在环境科学领域的光催化应用中得到了广泛的探索。我们列出了几种实验和计算方法来估计电荷转移量。介绍了功函数、缺陷和掺杂以及使用外部电场对调制电荷转移的影响。讨论了能带弯曲和载流子传输穿过由 TiO 2 组成的表面和界面之间的相互作用。我们表明，电荷转移还可以通过它产生的内置电场强烈影响沉积在 TiO 2 上的纳米颗粒的行为。这篇综述涵盖了复合材料的几项进展，其中 TiO 2 与二维材料如石墨烯、MoS 2 、磷烯等相结合。 TiO 2 -有机卤化物钙钛矿中与界面电子-空穴分离相关的电荷传输是还讨论了。