▎ 摘　　要

Strain engineering has recently seen a surge of interest to regulate the performance of two-dimensional (2D) materials. Herein, the strain is introduced firstly to enhance the nitrogen reduction reaction (NRR) performance of graphene with vacancies (GV) studied by density functional theory (DFT). With increasing strain, the GV shows reduced energy barrier (overpotential) and improved NRR selectivity. For the GV with 8 % strain, it shows ultralow energy barrier (0.35 eV) and overpotential (0.19 V). By tuning the electronic structure, the catalytic activity is enhanced but the conductivity is retained. Additionally, the established electrocatalysts can be well preserved in aqueous environmental at room temperature. This theoretical research provides a fantastic insight into developing highly efficient electrocatalysts.