Interfacial Design on Graphene-Hematite Heterostructures for Enhancing Adsorption and Diffusion towards Superior Lithium Storage.

ABSTRACT: Hematite (α-Fe2O3) is a promising electrode material for cost-effective lithium-ion batteries (LIBs), and the coupling with graphene to form Gr/α-Fe2O3 heterostructures can make full use of the merits of each individual component, thus promoting the lithium storage properties. However, the influences of the termination of α-Fe2O3 on the interfacial structure and electrochemical performance have rarely studied. In this work, three typical Gr/α-Fe2O3 interfacial systems, namely, single Fe-terminated (Fe-O3-Fe-R), double Fe-terminated (Fe-Fe-O3-R), and O-terminated (O3-Fe-Fe-R) structures, were fully investigated through first-principle calculation. The results demonstrated that the Gr/Fe-O3-Fe-R system possessed good structural stability, high adsorption ability, low volume expansion, as wel

SUBMITTER: Zhang Q 

PROVIDER: S-EPMC7823445 | biostudies-literature | 2021 Jan

REPOSITORIES: biostudies-literature