2021
DOI: 10.1002/qua.26790
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Prediction on the high‐energy density covalent organic frameworks with diamond network

Abstract: A new class of high‐energy density covalent organic framework has been predicted on the basis of the extensive quantum chemistry computational studies. Two state‐of‐the‐art energetic materials with the chemical formula C10H8N8 are generated by the inter‐tiling condensation starting from the divergent tertra‐substituted methane and the ditopic glyoxal or hydrazine. Both energetic covalent organic frameworks (eCOFs) involve the 3D interpenetrated diamond nets with the cage vertices connected by either CC or NN… Show more

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