Bottom-up design of 2D organic photocatalysts for visible-light driven hydrogen evolution

来源 :The 6th International Conference on Nanoscience and Technolo | 被引量 : 0次 | 上传用户:dong770527
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  Since the graphene boom,great efforts have been devoted to the two-dimensional(2D)monolayer materials with exciting perspectives of applications.Most known 2D materials so far are inorganic.Using the covalent triazine framework(CTF)as a representative,here we explore 2D organic semiconductors using first-principles calculations.From a systematic study of the electronic band structures,work functions,CBM/VBM positions,and optical absorption spectra,we identified the CTF as a new class of 2D visible-light-driven organocatalyst for water splitting.
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