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学者姓名：余文贝
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Abstract ：
Carbon materials are commonly integrated with TiO2 to achieve high carrier mobility and excellent photocatalytic performance, and the chemical bond between TiO2 - C is considered as a significant strategy to enhance efficiency. Nevertheless, few analyses have elucidated the formation mechanism of Ti3+ - C bonds and the underlying reasons for the performance enhancement. To address these issues, this study conducts an in-depth investigation into the electronic structure of TiO2 - C and demonstrates that the charge in the nonbonding molecular orbital t2g of Ti3+ is transferred to the unoccupied 2p energy level of C through the formation of 1 pi and 2 pi bonds, i.e., (Ti 3d(xz) - C 2p(y)) and (Ti3d(xy) - C 2p(x)). The hybridization of t(2g)-2p orbitals endows the Ti3+ - C bond with higher carrier mobility and a stronger binding force, thereby contributing to stable photocatalytic H-2 production. Inspired by this scenario, the NSTiO2/rGO hybrid architecture, featuring the {101}/{001} surface heterojunction and the Ti3+ - C interfacial chemical bond, has been constructed. As a result, the hybrid catalyst exhibited excellent photocatalytic cycling stability of 92.9% and an H-2 evolution rate of 33.4 mmolh(-1)g(-1). This work proposes a strategy for designing efficient photocatalyst by regulating orbitals to achieve high-performance photocatalytic methanol splitting.
Keyword ：
cycling stability cycling stability photocatalytic methanol splitting photocatalytic methanol splitting surface heterojunction surface heterojunction t(2g)-2p orbital modulation t(2g)-2p orbital modulation Ti3+ - C chemical bond Ti3+ - C chemical bond
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| GB/T 7714 | Yu, Wen-Bei , Zhang, Heng-Rui , Zhang, Hong-Wei et al. Modulating Ti t2g Orbital Bonding in Dual-Channeled TiO2/rGO Hybrid Architecture for Stable Photocatalytic Methanol to Hydrogen [J]. | ADVANCED FUNCTIONAL MATERIALS , 2024 , 34 (52) . |
| MLA | Yu, Wen-Bei et al. "Modulating Ti t2g Orbital Bonding in Dual-Channeled TiO2/rGO Hybrid Architecture for Stable Photocatalytic Methanol to Hydrogen" . | ADVANCED FUNCTIONAL MATERIALS 34 . 52 (2024) . |
| APA | Yu, Wen-Bei , Zhang, Heng-Rui , Zhang, Hong-Wei , Liu, Yao , Li, Yu , Su, Bao-Lian . Modulating Ti t2g Orbital Bonding in Dual-Channeled TiO2/rGO Hybrid Architecture for Stable Photocatalytic Methanol to Hydrogen . | ADVANCED FUNCTIONAL MATERIALS , 2024 , 34 (52) . |
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