Effects of microstructural tailoring on Na storage performance of graphene

• Published in: International journal of quantum chemistry Vol. 121; no. 14
• Main Authors: Yao, Li‐Hua, Zhao, Jian‐Guo, Li, Jing‐Wei
• Format: Journal Article
• Language: English
• Published: Hoboken, USA John Wiley & Sons, Inc 15.07.2021; Wiley Subscription Services, Inc
• Subjects: Adsorption; Chemistry; Density functional theory; Electronic structure; Graphene; microstructural tailoring; Na storage; Physical chemistry; Quantum physics

We probe the effects of microstructural tailoring on Na storage performance of graphene by using the density functional theory (DFT). The results indicate that four types of graphenes with microstructural tailoring, that is, B‐doped‐graphene (B‐graphene), O‐doped‐graphene (O‐graphene), vacancy graph...