Students | Kibo Nagasaki
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School | IND - Mentor College - Mississauga |
Level | Senior 11/12 - Grade 11 |
Group | Group 8 - Physical and Mathematical |
Abstract | The purposes are (1) to identify the rate-determining reaction in the catalysis reaction of ammonia synthesis under mild conditions reported in 2019 experimentally, (2) to design a more effective catalyst by using density functional theory (DFT) calculation and (3) to demonstrate the efficiency of catalyst designed by DFT in this project. |
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