关于硝基石墨烯、硝基石墨烷和硝基氧化石墨烯的稳定性和存在性
On the stability and existence of nitro-graphene, nitro-graphane, and nitro-graphene oxide
摘要：
在这里，硝基石墨烯衍生物与未受干扰的石墨烯骨架的存在的可能性被认为是。基于第一性原理计算，它表明，虽然NO $_2$是无法形成共价键与裸石墨烯，它成为可能在某些结构的石墨烷，氟石墨烯，和氧化石墨烯。本文提出，除其他外，对C-NO $_2$键合强度的环境影响的分析。作者认为，这些材料的潜在前景和可能的合成路线的讨论，将有助于进一步研究石墨烯基材料。
英文摘要：
Here, the possibility of the existence of nitro-graphene derivatives with undisturbed graphene backbone is considered. Based on the first-principles calculation, it is shown that while NO$_2$ is unable to form a covalent bond with bare graphene, it becomes possible in some structures of graphane, fluorographene, and graphene oxide. This paper presents, among others, an analysis of the surrounding influence on the C-NO$_2$ bond strength. The author believes, that potential prospects of these materials and discussion about possible synthesizing routes may help further research on graphene-based materials.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
