Single-side functionalized graphene as promising cathode catalysts in nonaqueous lithium–oxygen batteries
Source abstract
Abstract
High-performance cathode catalysts are always desirable for nonaqueous lithium-oxygen (Li-O2) batteries. Using density functional theory calculations, the structural, electronic, and magnetic properties of SSX-Gr with different C/X ratios (X = H or F) are systematically studied. Then, a detailed mechanism on the dissociation of O2 and the migration of Li on the SSX-Gr is revealed, based on which C6X and C8X are confirmed as the potential candidates as cathode catalysts. The studies on reaction pathways suggest that the four-electron pathway is the more possible catalytic pathway for the selected SSX-Gr. The free energy diagrams for discharging and charging processes catalyzed by SSX-Gr reveal that C6F exhibits the highest application potential due to its considerably low oxygen reduction overpotential (0.83 V) and oxygen evolution overpotential (1.47 V). The extra spins induced by single-side functionalization endow graphene with the electrocatalytic activity.
Source: europepmc · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Advancements in Battery Materials · Advanced Battery Materials and Technologies · Graphene research and applications
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
School of Materials Engineering, Changshu Institute of Technology, Changshu, Jiangsu 215500, China
School of Physics, Southeast University, Nanjing 211189, China
Suzhou Key Laboratory of Functional Ceramic Materials, Changshu Institute of Technology, Changshu 215500, China
Institute of Functional Nano & Soft Materials (FUNSOM), Soochow University, Suzhou, Jiangsu 215123, China
Macao Institute of Materials Science and Engineering, Macau University of Science and Technology, Taipa 999078, Macau SAR, China
Funding
National Natural Science Foundation of China · National Key Research and Development Program of China · Natural Science Foundation of Jiangsu Province · Collaborative Innovation Center of Suzhou Nano Science and Technology · Priority Academic Program Development of Jiangsu Higher Education Institutions · Higher Education Discipline Innovation Project
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