School of Chemical Engineering and Energy Technology;
Dongguan University of Technology;
Dongguan 523808;
China;
Department of Chemistry and Biotechnology;
and Centre for Translational Atomaterials.FSET;
Swinburne University of Technology;
Hawthorn;
Victoria 3122;
Australia;
Key Laboratory of Inorganic Nonmetallic Crystalline and Energy Conversion Materials.College of Materials and Chemical Engineering;
China Three Gorges University;
Yichang 443002;
China;
State Centre for International Cooperation on Designer Low-Carbon&Environmental Materials.School of Materials Science and Engineering;
Zhengzhou University;
Henan 450001;
China;
Double atom catalyst; Graphdiyne; NRR; First-principles calculation;