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

Kota Murakami; Yuta Tanaka; Ryuya Sakai; Kenta Toko; Kazuharu Ito; Atsushi Ishikawa; Takuma Higo; Tomohiro Yabe; Shuhei Ogo; Masatoshi Ikeda; Hideaki Tsuneki; Hiromi Nakai; Yasushi Sekine

doi:10.1016/j.cattod.2018.10.055

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

Kota Murakami, Yuta Tanaka, Ryuya Sakai, Kenta Toko, Kazuharu Ito, Atsushi Ishikawa, Takuma Higo, Tomohiro Yabe, Shuhei Ogo, Masatoshi Ikeda, Hideaki Tsuneki, Hiromi Nakai, Yasushi Sekine^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

30 Citations (Scopus)

Abstract

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.

Original language	English
Pages (from-to)	119-124
Number of pages	6
Journal	Catalysis Today
Volume	351
DOIs	https://doi.org/10.1016/j.cattod.2018.10.055
Publication status	Published - 2020 Jul 1

Keywords

Ammonia synthesis
DFT calculation
Reaction mechanism
Ru-catalyst
Surface protonics

ASJC Scopus subject areas

Catalysis
General Chemistry

Access to Document

10.1016/j.cattod.2018.10.055

Cite this

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

abstract = "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.",

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AU - Murakami, Kota

AU - Tanaka, Yuta

AU - Sakai, Ryuya

AU - Toko, Kenta

AU - Ito, Kazuharu

AU - Ishikawa, Atsushi

AU - Higo, Takuma

AU - Yabe, Tomohiro

AU - Ogo, Shuhei

AU - Ikeda, Masatoshi

AU - Tsuneki, Hideaki

AU - Nakai, Hiromi

AU - Sekine, Yasushi

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KW - Reaction mechanism

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KW - Surface protonics

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