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[Display omitted] • Fe 2 O 3 /MoC@NG shows excellent rate performance and large-current long-cycle stability. • Pseudocapacitance control is the major charge–discharge mechanism. • Fe 2 O 3 /MoC@NG shows 21-time enhanced Li+ ion diffusion kinetics compared with Fe 2 O 3 @NG. • Stabilization of Li-DIBs anode structure by heterointerface bonding of Fe 2 O 3 /MoC@NG. • The transport paths of PF 6 − and Li+ ions in dual-ion batteries are studied. Lithium dual-ion batteries (Li-DIBs) technology is expected to become a leader in replacing lithium-ion batteries (LIBs) to carry out high energy/power density energy storage devices. Unfortunately, the sluggish electrochemical reaction kinetics of anode materials critically restricts their practical development. Here, a Li-DIBs is proposed by using a three-dimensional (3D) structure composed of Fe 2 O 3 /MoC heterostructure nanoparticals embedded in a hierarchical mesoporous nitrogen-doped reduction graphene oxide (Fe 2 O 3 /MoC@NG) as the anode, which has low Li+ ion diffusion barrier (0.098 eV), high Li+ ion diffusion coefficient (4.99 × 10−11 cm2 s−1) and remarkable rate property (879.2 mA h g−1 at 10 A g−1), and choosing nano-graphite as the cathode. Originating from the respective strengths of Fe 2 O 3 /MoC@NG anode and the nano-graphite cathode, the as-constructed Li-DIBs full battery displays high reversible capacity and prominent rate property (103.9 mA h g−1 at 0.05 A g−1 and 48.9 mA h g−1 at 2 A g−1). Specifically, taking advantage of density functional theory (DFT) calculations, the exact paths of PF 6 − ion intercalation into graphite cathode and Li+ ion diffusion into Fe 2 O 3 /MoC@NG anode is obtained, namely PF 6 − ion transmits along the (0 0 2) face of nano-graphite and Li+ ion diffuses along the heterointerface of Fe 2 O 3 /MoC@NG. [ABSTRACT FROM AUTHOR]