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Regulating Electronic Structure of Metal-Organic Frameworks for Improved Photocatalytic Activity Through Trace of Molecular Doping

41 Pages Posted: 20 Feb 2020 Publication Status: Review Complete

See all articles by Hai-Xiong Liu

Hai-Xiong Liu

Chinese Academy of Sciences (CAS) - State Key Laboratory of Structural Chemistry

Ting-Ting Liu

East China University of Science and Technology (ECUST) - Key Laboratory for Advanced Materials

Tao Huang

Chinese Academy of Sciences (CAS) - State Key Laboratory of Structural Chemistry

Zhi-Bin Fang

Chinese Academy of Sciences (CAS) - State Key Laboratory of Structural Chemistry

Lan Li

Chinese Academy of Sciences (CAS) - State Key Laboratory of Structural Chemistry

Qi Yin

Chinese Academy of Sciences (CAS) - State Key Laboratory of Structural Chemistry

Xue-Qing Gong

East China University of Science and Technology (ECUST) - Key Laboratory for Advanced Materials

Tian-Fu Liu

Chinese Academy of Sciences (CAS) - State Key Laboratory of Structural Chemistry

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Abstract

Doping, introducing trace of impurity into a material to alter its original electrical or optical properties, constitutes the very basis for the great number of electronic devices pervaded in material sciences. Unfortunately, this strategy has yet to be applied in metal-organic frameworks (MOFs). In this study, we for the first time demonstrate that doping trace of organic molecules into MOFs dramatically alters the electric structure and optical property of the bulky material without disturbing the original frameworks as confirmed by both powder and single-crystal x-ray diffraction. This method is applicable to various dopants and other types of MOFs. Theoretical calculation suggested that the dopant introduces an impurity level in the host band structure, which greatly narrows the band gap and boosts the photogenerated electron-hole separation. Therefore, a photocatalytic inert MOFs can achieve excellent activity for water splitting though a trace of molecular doping. These findings presented here provide a powerful yet facile strategy toward regulating the electronic band structure of MOFs for improved catalytic activity without necessarily changing the original chemical components, topology, and porosity.

Keywords: Metal-organic framework, electronic structure, optical property, band gap, molecular doping

Suggested Citation

Liu, Hai-Xiong and Liu, Ting-Ting and Huang, Tao and Fang, Zhi-Bin and Li, Lan and Yin, Qi and Gong, Xue-Qing and Liu, Tian-Fu, Regulating Electronic Structure of Metal-Organic Frameworks for Improved Photocatalytic Activity Through Trace of Molecular Doping. Available at SSRN: https://ssrn.com/abstract=3537942 or http://dx.doi.org/10.2139/ssrn.3537942
This version of the paper has not been formally peer reviewed.

Hai-Xiong Liu

Chinese Academy of Sciences (CAS) - State Key Laboratory of Structural Chemistry

Fuzhou, 350002
China

Ting-Ting Liu

East China University of Science and Technology (ECUST) - Key Laboratory for Advanced Materials

China

Tao Huang

Chinese Academy of Sciences (CAS) - State Key Laboratory of Structural Chemistry

Fuzhou, 350002
China

Zhi-Bin Fang

Chinese Academy of Sciences (CAS) - State Key Laboratory of Structural Chemistry

Fuzhou, 350002
China

Lan Li

Chinese Academy of Sciences (CAS) - State Key Laboratory of Structural Chemistry

Fuzhou, 350002
China

Qi Yin

Chinese Academy of Sciences (CAS) - State Key Laboratory of Structural Chemistry

Fuzhou, 350002
China

Xue-Qing Gong

East China University of Science and Technology (ECUST) - Key Laboratory for Advanced Materials

China

Tian-Fu Liu (Contact Author)

Chinese Academy of Sciences (CAS) - State Key Laboratory of Structural Chemistry ( email )

Fuzhou, 350002
China

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