Zn-MOF Derived Zn-N-C as anode material for lithium/sodium ion batteries: Experiments and density functional theory calculations

Atomically dispersed Zn-N-C frameworks hold great promise for high-efficiency energy storage but remain challenging to fabricate controllably. Here we present an integrated “microchannel-synthesis + carbon-bath pyrolysis” strategy that enables rapid precursor formation and precise structural conversion without inert-gas protection. Adjusting the pyrolysis temperature influences the Zn-N coordination environment and carbon microstructure: Zn-N-C-800 exhibits higher N content, atomically dispersed Zn species in Zn-N 4 -type coordination environments as evidenced by XAFS/XPS, and an enlarged interlayer spacing (∼0.36 nm). These features facilitate ion transport and surface-controlled pseudocapacitive storage, delivering reversible capacities of approximately 700 and 186 mAh g −1 in Li + and Na + systems, respectively, with excellent rate capability and cycling stability. This work elucidates the structure–activity relationship of Zn-N-C materials and provides a scalable framework for designing MOF-derived electrodes with tunable atomic coordination and enhanced electrochemical kinetics. • A rapid “microchannel + carbon-bath” strategy enables scalable synthesis of Zn-N-C anodes. • Flash nanoprecipitation achieves continuous, uniform formation of Zn-MOF precursors. • Zn-N 4 active sites act as additional Li⁺/Na⁺ storage centers, facilitating higher capacity. • The stable Zn-N 4 coordination structure helps mitigate volume expansion during cycling.