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The tesseract in two dimensional materials, a DFT approach.

RSC Adv

February 2020

Key Laboratory of Marine Chemistry Theory and Technology, Ministry of Education, College of Chemistry and Chemical Engineering, Ocean University of China Qingdao 266100 China

A series of novel two-dimensional materials inspired from a 4D polytope, tesseract, have been proposed by density functional theory (DFT) based computations. Both CX and CX (X = O, S and Se) are found to have great thermodynamic and dynamic stabilities, and CX exhibited excellent thermal stability up to 1000 K. All these 2D crystals are semiconductors with 2.

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