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Forming heterojunction: an effective strategy to enhance the photocatalytic efficiency of a new metal-free organic photocatalyst for water splitting.

ABSTRACT: Photocatalytic water splitting is a new technology for the conversion and utilization of solar energy and has a potential prospect. One important aspect of enhancing the photocatalytic efficiency is how to improve the electron-hole separation. Up to now, there is still no ideal strategy to improve the electron-hole separation. In this article, for metal-free organic photocatalysts, we propose a good strategy- forming heterojunction, which can effectively improve the electron-hole separation. We provide a metal-free organic photocatalyst g-C12N7H3 for water splitting. The stability of g-C12N7H3 has been investigated, the X-ray diffraction spectra has been simulated. Using first-principles calculations, we have systematically studied the electronic structure, band edge alignment, and optical properties for the g-C12N7H3. The results demonstrated that g-C12N7H3 is a new organocatalyst material for water splitting. In order to enhance the photocatalytic efficiency, we provided four strategies, i.e., multilayer stacking, raising N atoms, forming g-C9N10/g-C12N7H3 heterojunction, and forming graphene/g-C12N7H3 heterojunction. Our research is expected to stimulate experimentalists to further study novel 2D metal-free organic materials as visible light photocatalysts. Our strategies, especially forming heterojunction, will substantially help to enhance the photocatalytic efficiency of metal-free organic photocatalyst.

SUBMITTER: Li H

PROVIDER: S-EPMC4965868 | biostudies-other | 2016

REPOSITORIES: biostudies-other

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Forming heterojunction: an effective strategy to enhance the photocatalytic efficiency of a new metal-free organic photocatalyst for water splitting.

Li Hengshuai H Hu Haiquan H Bao Chunjiang C Guo Feng F Zhang Xiaoming X Liu Xiaobiao X Hua Juan J Tan Jie J Wang Aizhu A Zhou Hongcai H Yang Bo B Qu Yuanyuan Y Liu Xiangdong X

Scientific reports 20160729

Photocatalytic water splitting is a new technology for the conversion and utilization of solar energy and has a potential prospect. One important aspect of enhancing the photocatalytic efficiency is how to improve the electron-hole separation. Up to now, there is still no ideal strategy to improve the electron-hole separation. In this article, for metal-free organic photocatalysts, we propose a good strategy- forming heterojunction, which can effectively improve the electron-hole separation. We ...[more]

PMID: 27470223

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Project description:The quest for efficient and economically accessible cleaner methods to develop sustainable carbon-free energy sources induced a keen interest in the production of hydrogen fuel. This can be achieved via the water-splitting process and by exploiting solar energy. However, the use of adequate photocatalysts is required to reach this goal. Covalent triazine-based frameworks (CTFs) are potential target photocatalysts for water splitting. Both electronic and structural characteristics of CTFs, particularly energy levels, optical band gaps, and porosities are directly relevant to water splitting and can be engineered through chemical design. Porosity can, in principle, be beneficial to water splitting by providing a larger surface area for the catalytic reactions to take place. However, porosity can also affect both charge transport within the photocatalyst and mass transfer of both reactants and products, thus impacting the overall kinetics of the reaction. Here, we focus on the link between chemical design and water (reactant) mass transfer, which plays a key role in the water uptake process and the subsequent hydrogen generation in practice. We use neutron spectroscopy to study the mass transfer of water in two porous CTFs, CTF-CN and CTF-2, that differ in the polarity of their struts. Quasi-elastic neutron scattering is used to quantify the amount of bound water and the translational diffusion of water. Inelastic neutron scattering measurements complement the quasi-elastic neutron scattering study and provide insights into the softness of the CTF structures and the changes in librational degrees of freedom of water in the porous CTFs. We show that two different types of interaction between water and CTFs take place in CTF-CN and CTF-2. CTF-CN exhibits a smaller surface area and lower water uptake due to its softer structure than CTF-2. However, the polar cyano group interacts locally with water leading to a large amount of bound water and a strong rearrangement of the water hydration monolayer, while water diffusion in CTF-2 is principally impacted by microporosity. The current study leads to new insights into the structure-dynamics-property relationship of CTF photocatalysts that pave the road for a better understanding of the guest-host interaction on the basis of water-splitting applications.

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Forming heterojunction: an effective strategy to enhance the photocatalytic efficiency of a new metal-free organic photocatalyst for water splitting.

Publications

Forming heterojunction: an effective strategy to enhance the photocatalytic efficiency of a new metal-free organic photocatalyst for water splitting.

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