Bifurcation and chaos of Li-doped 6,6,12-graphyne impacted by hydrogen atoms: A new way to explore hydrogen storage

Abstract

Hydrogen energy, as a green new energy source, has great significance for environmental protection due to its widespread application. This article uses nonlinear dynamics theory to study the problem of hydrogen energy storage firstly, which is different from traditional methods by using simulation and experimental methods. In this paper, the bifurcation and chaos of Li-doped 6,6,12-graphyne impacted by hydrogen atoms are studied. The perturbation of 6,6,12-graphene by Li atoms is treated as the Gauss white noise. The incremental harmonic balance method (IHB) is used for drawing the amplitude-frequency response curve of the system under simple harmonic excitation. Theoretical analysis shows that the inhomogeneity of 6,6,12-graphyne stiffness can affect the system stability, which decides the actual hydrogen storage capacity of graphyne. And then simulation and experiment results confirm the results of theoretical analysis. The maximum increase hydrogen storage efficiency can be more than 10% by selecting appropriate distribution of Li atoms.The research results of this article have a certain promoting effect on the industrial application of hydrogen energy.