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Directional Change of Interfacial Electric Field by Carbon Insertion in Heterojunction System TiO2/WO3
ACS Applied Materials & Interfaces ( IF 8.3 ) Pub Date : 2020-03-17 , DOI: 10.1021/acsami.0c00669 Yong H. Kim 1 , Su Y. Lee 1 , Ha N. Umh 1 , Hyeon D. Song 1 , Jeong W. Han 2 , Jang W. Choi 1 , Jongheop Yi 1
ACS Applied Materials & Interfaces ( IF 8.3 ) Pub Date : 2020-03-17 , DOI: 10.1021/acsami.0c00669 Yong H. Kim 1 , Su Y. Lee 1 , Ha N. Umh 1 , Hyeon D. Song 1 , Jeong W. Han 2 , Jang W. Choi 1 , Jongheop Yi 1
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Z-scheme transfer is an ideal photocatalytic system with stronger redox ability, but its design and construction still lack understanding. Herein, the work function difference and the band bending are found to be the determining factors for the construction of the Z-scheme transfer mechanism of photoexcited charges in TiO2/WO3. The control of work function and band bending achieved by carbon insertion results from the hybridization of orbitals and redistribution of electron density, as demonstrated by ultraviolet photoelectron spectroscopy and photocatalytic analysis. The heterojunction system, TiO2/WO3, with controlled work function and band bending, shows 2 times faster •OH radical formation rate (0.011 μmol min–1) compared to the undisturbed system. First-principles calculation reveals that the changes in work function and band bending result in an interfacial electric field, which shifts the charge transfer mechanism from type II to Z-scheme. This work proves that the design of work function and band bending allows reconstructing charge transfer mechanism by forming the interfacial electric field in heterojunction systems.
中文翻译：
异质结体系TiO 2 / WO 3中碳的注入引起界面电场的方向变化
Z方案转移是具有较强氧化还原能力的理想光催化系统，但其设计和构造仍缺乏了解。在此，发现功函数差和能带弯曲是构成TiO 2 / WO 3中光激发电荷的Z-方案转移机理的决定因素。紫外光电子能谱和光催化分析表明，通过碳的插入，可实现对功函数和能带弯曲的控制，这是由于轨道的杂化和电子密度的重新分布所致。具有受控功函数和能带弯曲的异质结系统TiO 2 / WO 3的显示速度提高了2倍•与未扰动系统相比，OH自由基形成速率（0.011μmolmin –1）。第一性原理计算表明，功函数和能带弯曲的变化会导致界面电场，从而使电荷转移机理从II型转变为Z型。这项工作证明了功函数和带弯曲的设计允许通过在异质结系统中形成界面电场来重建电荷转移机制。
更新日期：2020-03-19
中文翻译：
异质结体系TiO 2 / WO 3中碳的注入引起界面电场的方向变化
Z方案转移是具有较强氧化还原能力的理想光催化系统，但其设计和构造仍缺乏了解。在此，发现功函数差和能带弯曲是构成TiO 2 / WO 3中光激发电荷的Z-方案转移机理的决定因素。紫外光电子能谱和光催化分析表明，通过碳的插入，可实现对功函数和能带弯曲的控制，这是由于轨道的杂化和电子密度的重新分布所致。具有受控功函数和能带弯曲的异质结系统TiO 2 / WO 3的显示速度提高了2倍•与未扰动系统相比，OH自由基形成速率（0.011μmolmin –1）。第一性原理计算表明，功函数和能带弯曲的变化会导致界面电场，从而使电荷转移机理从II型转变为Z型。这项工作证明了功函数和带弯曲的设计允许通过在异质结系统中形成界面电场来重建电荷转移机制。
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