Theoretical study of KSb/graphene heterostructure for electrochemical nitrogen reduction reaction
Frontiers of Physics, ISSN: 2095-0470, Vol: 17, Issue: 2
2022
- 5Citations
- 3Captures
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Article Description
Instead of the energy-intensive Haber-Bosch process, electrochemical nitrogen reduction reaction (NRR) is an exciting new carbon neutral technique for ammonia synthesis under ambient conditions. In this work, we investigated K-based electrocatalysts theoretically and demonstrated that KSb/graphene performs excellent activity and inhibits hydrogen evolution on alternating reaction pathway. The first hydrogenation step from N* to NNH* was found to be the most energetic and limiting step (0.61 eV). Graphene substrate plays the critical role to promote electronic conductivity between KSb and dinitrogen. [Figure not available: see fulltext.].
Bibliographic Details
http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=85116053274&origin=inward; http://dx.doi.org/10.1007/s11467-021-1115-4; https://link.springer.com/10.1007/s11467-021-1115-4; https://dx.doi.org/10.1007/s11467-021-1115-4; https://link.springer.com/article/10.1007/s11467-021-1115-4; http://sciencechina.cn/gw.jsp?action=cited_outline.jsp&type=1&id=7255089&internal_id=7255089&from=elsevier
China Engineering Science Press Co. Ltd.
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