Two-dimensional carbon materials, such as graphene and graphyne, have been very relevant in the context of energy storage applications. Such materials have unique physical, chemical and electronic properties. Graphyne, in particular, exhibits even more remarkable properties related to its larger specific area, greater electronic mobility, and its intrinsic band-gap. In this work, we present a series of results from an extensive set of atomistic molecular dynamics simulations that compare the efficiency of these two materials as electrodes in electric double layer capacitors. Although there is already a considerable volume of work on graphene and graphyne, an extensive comparison of their performances in energy storage applications under thermodynamic conditions has not yet been presented. Here our simulations investigate the electrostatic properties of eight different supercapacitors, four of which are graphene and the other graphyne, in different electrolytes. A detailed analysis of the energetic and electrostatic of these is reported for all systems. The performance of the supercapacitors is described in terms of their electrode capacitance, providing a set of results that indicate the superiority of the graphyne electrode over the graphene electrodes.

二维碳材料，如石墨烯和石墨烯，在储能应用方面非常重要。这些材料具有独特的物理、化学和电子特性。尤其是石墨炔，其更大的比表面积、更高的电子迁移率和固有的带隙表现出更显着的特性。在这项工作中，我们展示了一组广泛的原子分子动力学模拟的一系列结果，这些模拟比较了这两种材料作为双电层电容器电极的效率。尽管已经有大量关于石墨烯和石墨烯的工作，但尚未对它们在热力学条件下的储能应用中的性能进行广泛比较。在这里，我们的模拟研究了八种不同超级电容器在不同电解质中的静电特性，其中四种是石墨烯，另一种是石墨烯。报告了所有系统的能量和静电的详细分析。超级电容器的性能是根据它们的电极电容来描述的，提供了一组结果表明石墨烯电极优于石墨烯电极。