The important role of N2H formation energy for low-temperature ammonia synthesis in an electric field

[Display omitted] •Low temperature catalytic ammonia synthesis at 373 K with an electric field has been investigated.•Fe- and Ni-supported catalysts show higher TOF than Ru-supported catalyst in an electric field.•N2 dissociation through the “associative mechanism” plays a key role in the electric f...

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Bibliographic Details
Published in:Catalysis today 2020-07, Vol.351, p.119-124
Main Authors: Murakami, Kota, Tanaka, Yuta, Sakai, Ryuya, Toko, Kenta, Ito, Kazuharu, Ishikawa, Atsushi, Higo, Takuma, Yabe, Tomohiro, Ogo, Shuhei, Ikeda, Masatoshi, Tsuneki, Hideaki, Nakai, Hiromi, Sekine, Yasushi
Format: Article
Language:English
Subjects:
Ammonia synthesis
DFT calculation
Reaction mechanism
Ru-catalyst
Surface protonics
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Summary:[Display omitted] •Low temperature catalytic ammonia synthesis at 373 K with an electric field has been investigated.•Fe- and Ni-supported catalysts show higher TOF than Ru-supported catalyst in an electric field.•N2 dissociation through the “associative mechanism” plays a key role in the electric field.•The ammonia synthesis activity in the electric field is determined by the N2H formation energy. Development of a highly efficient ammonia synthesis process is desirable for achieving a sustainable society. Regarding conventional heterogeneous catalysts, Ru-supported catalyst exhibits higher turn-over frequency (TOF) than Fe-supported or Ni-supported catalysts. However, we found that Fe-supported and Ni-supported catalysts show higher TOF than Ru-supported catalyst in an electric field at the low temperature of 373 K. Density functional theory (DFT) calculations revealed that N2 dissociation through the “associative mechanism” plays a key role in the electric field. The ammonia synthesis activity in the electric field is determined by the N2H formation energy at the metal-support interface.
ISSN:0920-5861
1873-4308
DOI:10.1016/j.cattod.2018.10.055