Cerón Maira R, Zhan Cheng, Campbell Patrick G, Freyman Megan C, Santoyo Christy, Echegoyen Luis, Wood Brandon C, Biener Juergen, Pham Tuan Anh, Biener Monika M
Materials Science Division , Lawrence Livermore National Laboratory , 7000 East Avenue , Livermore , California 94550 , United States.
Department of Chemistry , University of Texas at El Paso , 500 W University Avenue , El Paso , Texas 79968 , United States.
ACS Appl Mater Interfaces. 2019 Aug 14;11(32):28818-28822. doi: 10.1021/acsami.9b06681. Epub 2019 Jul 23.
Here, we report a concept that allows the integration of the characteristic properties of [60]fullerene in 3D graphene networks. In these systems, graphene provides high electrical conductivity and surface area while fullerenes add high electron affinity. We use molecular design to optimize the interaction between 3D graphene networks and fullerenes, specifically in the context of stability and charge transfer in an electrochemical environment. We demonstrated that the capacity of the 3D graphene network is significantly improved upon the addition of C and C monoadducts by providing additional acceptor states in the form of low-lying lowest unoccupied molecular orbitals of C and its derivative. Guided by experimental results and first-principles calculations, we synthesized and tested a C monoadduct with increased stability by strengthening the 3D graphene-C van-der-Waals interactions. The synthesis method and stabilization strategy presented here is expected to benefit the integration of graphene-C hybrid materials in solar cell and charge storage applications.
在此，我们报告了一种概念，该概念能够将[60]富勒烯的特性整合到三维石墨烯网络中。在这些体系中，石墨烯提供高电导率和高表面积，而富勒烯则增加高电子亲和力。我们利用分子设计来优化三维石墨烯网络与富勒烯之间的相互作用，特别是在电化学环境中的稳定性和电荷转移方面。我们证明，通过以C及其衍生物的低能最低未占据分子轨道的形式提供额外的受体态，在添加C和C单加合物后，三维石墨烯网络的容量得到显著提高。在实验结果和第一性原理计算的指导下，我们通过加强三维石墨烯与C之间的范德华相互作用，合成并测试了一种具有更高稳定性的C单加合物。本文提出的合成方法和稳定策略有望有利于石墨烯-C混合材料在太阳能电池和电荷存储应用中的整合。
