Combined experimental and computational study of the chemical reactivity and optical properties of carbon nitride and its analogues

Jessica Valentina Zarama Buritica, Gino DiLabio, and Robert Godin

University of British Columbia

Carbon nitride (CNx) has emerged as a highly promising photocatalytic polymer and has been under intense study over the last few years. The interest stems from its properties as an active metal-free photocatalyst and its simple and facile synthesis from inexpensive nitrogen-rich organic precursors. As an organic polymer, CNx can be transformed and shaped in different ways to suit its intended applications, therefore it is necessary to extensively study its structural and electronic properties. In this work, we intend to investigate the electronic structure of CNx and its analogues including precursors and intermediates from a combined experimental and computational approach considering its chemical reactivity and optical properties. Specifically, melamine is adopted as the precursor for the formation of CNx and its intermediates, melam, and melem (see figure). figure

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