[SY-E4] Symposium E-4

[SY-E4] Catalyst design for ammonia synthesis of ammonia

^○Chenghua Sun (Swinburne University of Technology, Australia)

Ammonia (NH3) is a critical chemical widely used in modern agriculture and chemical engineering. Currently, it is based on the Haber-Bosch process at high temperature and high pressure. This computational work is to design novel catalysts to achieve ammonia synthesis at room temperature. Single-atom catalyst and defects of low-dimensional materials will be particularly considered. As revealed by first pricinple calculations, Mo-based various catalysts are promising for this applications.