The modulating effect of N coordination on single-atom catalysts researched by Pt-Nx-C model through both experimental study and DFT simulation

•The research model of single Pt atom dispersed on N-doped carbon is fabricated by ZIF-8 template.•N coordinating to Pt atoms is modulated by changing the carbonization temperature.•As demonstrated by DFT, low N coordination is beneficial to improving catalytic performance, especially high onset potential.•Atomic Pt catalyst shows high mass activity, onset potential, stability and methanol crossover resistance.