Regulating the coordination environment of Ru single-atom catalysts and unravelling the reaction path of acetylene hydrochlorination
In this work, DFT calculations were used firstly to simulate the nitrogen coordinated metal single-atom catalysts (M-Nx SACs, M = Hg, Cu, Au, and Ru) to predict their catalytic activities in acetylene hydrochlorination. The DFT results showed that Ru-Nx SACs had the best catalytic performance among...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
KeAi Communications Co., Ltd.
2023-08-01
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| Series: | Green Energy & Environment |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2468025722000061 |