Predicting two-dimensional semiconducting boron carbides

• Published in: Nanoscale Vol. 11; no. 23; pp. 11099 - 11106
• Main Authors: Tian, Xinxin, Xuan, Xiaoyu, Yu, Meng, Mu, Yuewen, Lu, Hai-Gang, Zhang, Zhuhua, Li, Si-Dian
• Format: Journal Article
• Language: English
• Published: England Royal Society of Chemistry (RSC) 21.06.2019; Royal Society of Chemistry
• Subjects: Bonding strength; Boron; Boron carbide; Boron compounds; Borophene; Carbon; Catalysis; Chemical bonds; Covalent bonds; Energy gap; Energy of formation; First principles; Free energy; Graphene; Heat of formation; Hexagons; Integers; Isomers; Light elements; Monolayers; Nanotubes; Optoelectronics; Pyramids; Synthesis; Two dimensional materials
• ISSN: 2040-3364; 2040-3372; 2040-3372
• DOI: 10.1039/c9nr02681a

Carbon and boron can mix to form numerous two-dimensional (2D) compounds with strong covalent bonds, yet very few possess a bandgap for functional applications. Motivated by the structural similarity between graphene and recently synthesized borophene, we propose a new family of semiconducting boron...