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Title: Electride support boosts nitrogen dissociation over ruthenium catalyst and shifts the bottleneck in ammonia synthesis

Abstract

Novel approaches to efficient ammonia synthesis at an ambient pressure are actively sought out so as to reduce the cost of ammonia production and to allow for compact production facilities. It is accepted that the key is the development of a high-performance catalyst that significantly enhances dissociation of the nitrogen–nitrogen triple bond, which is generally considered a rate-determining step. Here we examine kinetics of nitrogen and hydrogen isotope exchange and hydrogen adsorption/desorption reactions for a recently discovered efficient catalyst for ammonia synthesis—ruthenium-loaded 12CaO _ 7Al2O3 electride (Ru/C12A7:e_)—and find that the rate controlling step of ammonia synthesis over Ru/C12A7:e_ is not dissociation of the nitrogen–nitrogen triple bond but the subsequent formation of N–Hn species. A mechanism of ammonia synthesis involving reversible storage and release of hydrogen atoms on the Ru/C12A7:e_ surface is proposed on the basis of observed hydrogen absorption/desorption kinetics.

Authors:
 [1];  [2];  [3];  [4];  [5];  [6];  [7];  [8]
  1. Tokyo Inst. of Technology (Japan). Materials Research Center for Element Strategy
  2. Tokyo Inst. of Technology (Japan). Materials and Structures Lab.
  3. Tokyo Inst. of Technology (Japan). Materials and Structures Lab.
  4. Univ. College London (UCL), London (United Kingdom). Dept. of Physics and Astronomy
  5. Pacific Northwest National Lab. (PNNL), Richland, WA (United States); ACCEL, Japan Science and Technology Agency, Kawaguchi (Japan)
  6. Tokyo Inst. of Technology (Japan). Materials Research Center for Element Strategy; ACCEL, Japan Science and Technology Agency, Kawaguchi (Japan)
  7. Tokyo Inst. of Technology (Japan). Materials and Structures Lab.; ACCEL, Japan Science and Technology Agency, Kawaguchi (Japan); Tokyo Inst. of Technology (Japan). Frontier Research Center
  8. Tokyo Inst. of Technology (Japan). Materials Research Center for Element Strategy; Tokyo Inst. of Technology (Japan). Materials and Structures Lab.; ACCEL, Japan Science and Technology Agency, Kawaguchi (Japan); Tokyo Inst. of Technology (Japan). Frontier Research Center
Publication Date:
Research Org.:
Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1260712
Alternate Identifier(s):
OSTI ID: 1347879
Report Number(s):
PNNL-SA-124228
Journal ID: ISSN 2041-1723; ncomms7731
Grant/Contract Number:  
EP/ L000202; AC05-76RL01830
Resource Type:
Accepted Manuscript
Journal Name:
Nature Communications
Additional Journal Information:
Journal Volume: 6; Journal ID: ISSN 2041-1723
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Kitano, Masaaki, Kanbara, Shinji, Inoue, Yasunori, Kuganathan, Navaratnarajah, Sushko, Peter V., Yokoyama, Toshiharu, Hara, Michikazu, and Hosono, Hideo. Electride support boosts nitrogen dissociation over ruthenium catalyst and shifts the bottleneck in ammonia synthesis. United States: N. p., 2015. Web. doi:10.1038/ncomms7731.
Kitano, Masaaki, Kanbara, Shinji, Inoue, Yasunori, Kuganathan, Navaratnarajah, Sushko, Peter V., Yokoyama, Toshiharu, Hara, Michikazu, & Hosono, Hideo. Electride support boosts nitrogen dissociation over ruthenium catalyst and shifts the bottleneck in ammonia synthesis. United States. https://doi.org/10.1038/ncomms7731
Kitano, Masaaki, Kanbara, Shinji, Inoue, Yasunori, Kuganathan, Navaratnarajah, Sushko, Peter V., Yokoyama, Toshiharu, Hara, Michikazu, and Hosono, Hideo. Mon . "Electride support boosts nitrogen dissociation over ruthenium catalyst and shifts the bottleneck in ammonia synthesis". United States. https://doi.org/10.1038/ncomms7731. https://www.osti.gov/servlets/purl/1260712.
@article{osti_1260712,
title = {Electride support boosts nitrogen dissociation over ruthenium catalyst and shifts the bottleneck in ammonia synthesis},
author = {Kitano, Masaaki and Kanbara, Shinji and Inoue, Yasunori and Kuganathan, Navaratnarajah and Sushko, Peter V. and Yokoyama, Toshiharu and Hara, Michikazu and Hosono, Hideo},
abstractNote = {Novel approaches to efficient ammonia synthesis at an ambient pressure are actively sought out so as to reduce the cost of ammonia production and to allow for compact production facilities. It is accepted that the key is the development of a high-performance catalyst that significantly enhances dissociation of the nitrogen–nitrogen triple bond, which is generally considered a rate-determining step. Here we examine kinetics of nitrogen and hydrogen isotope exchange and hydrogen adsorption/desorption reactions for a recently discovered efficient catalyst for ammonia synthesis—ruthenium-loaded 12CaO _ 7Al2O3 electride (Ru/C12A7:e_)—and find that the rate controlling step of ammonia synthesis over Ru/C12A7:e_ is not dissociation of the nitrogen–nitrogen triple bond but the subsequent formation of N–Hn species. A mechanism of ammonia synthesis involving reversible storage and release of hydrogen atoms on the Ru/C12A7:e_ surface is proposed on the basis of observed hydrogen absorption/desorption kinetics.},
doi = {10.1038/ncomms7731},
journal = {Nature Communications},
number = ,
volume = 6,
place = {United States},
year = {Mon Mar 30 00:00:00 EDT 2015},
month = {Mon Mar 30 00:00:00 EDT 2015}
}

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Highly Effective Ru/BaCeO 3 Catalysts on Supports with Strong Basic Sites for Ammonia Synthesis
journal, July 2019


Advanced Non‐metallic Catalysts for Electrochemical Nitrogen Reduction under Ambient Conditions
journal, July 2019

  • Zhang, Lili; Chen, Gao‐Feng; Ding, Liang‐Xin
  • Chemistry – A European Journal, Vol. 25, Issue 54
  • DOI: 10.1002/chem.201901668

Energy-Efficient Nitrogen Reduction to Ammonia at Low Overpotential in Aqueous Electrolyte under Ambient Conditions
journal, October 2018


Predicting the structure and stability of titanium oxide electrides
journal, December 2018


Electrocatalytic synthesis of ammonia by surface proton hopping
journal, January 2017

  • Manabe, R.; Nakatsubo, H.; Gondo, A.
  • Chemical Science, Vol. 8, Issue 8
  • DOI: 10.1039/c7sc00840f

Enhanced hot electron generation by inverse metal–oxide interfaces on catalytic nanodiode
journal, January 2019

  • Lee, Hyosun; Yoon, Sinmyung; Jo, Jinwoung
  • Faraday Discussions, Vol. 214
  • DOI: 10.1039/c8fd00136g

Nitrogen reduction utilizing solvated electrons produced by thermal excitation of trapped electrons in reduced titanium oxide
journal, January 2018

  • Zhang, Xiaolei; Zhang, Guan; Zou, Jing
  • New Journal of Chemistry, Vol. 42, Issue 8
  • DOI: 10.1039/c8nj00560e

Acid-durable electride with layered ruthenium for ammonia synthesis: boosting the activity via selective etching
journal, January 2019

  • Li, Jiang; Wu, Jiazhen; Wang, Haiyun
  • Chemical Science, Vol. 10, Issue 22
  • DOI: 10.1039/c9sc01539f

X-ray absorption spectroscopy of Ba- and Cs-promoted Ru/mesoporous carbon catalysts for long-term ammonia synthesis under intermittent operation conditions
journal, January 2020

  • Nishi, Masayasu; Chen, Shih-Yuan; Takagi, Hideyuki
  • Sustainable Energy & Fuels, Vol. 4, Issue 2
  • DOI: 10.1039/c9se00781d

A grid-based Bader analysis algorithm without lattice bias
journal, January 2009


New lithium-electride design: material properties of Li n @porphyrin
journal, August 2019

  • Ebrahimiasl, Saeideh; Melnikov, Pavel A.; Hamzehloo, Majid
  • Materials Research Express, Vol. 6, Issue 10
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The effect of barium-promoted for microsphere Ru/CeO2 catalysts in ammonia synthesis
text, January 2018


Self-organized Ruthenium-Barium Core-Shell Nanoparticles on a Mesoporous Calcium Amide Matrix for Efficient Low-Temperature Ammonia Synthesis
journal, February 2018

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  • DOI: 10.1002/anie.201712398

Enhancement of Selective Fixation of Dinitrogen to Ammonia under Modal Strong Coupling Conditions
journal, April 2020

  • Oshikiri, Tomoya; Shi, Xu; Misawa, Hiroaki
  • European Journal of Inorganic Chemistry, Vol. 2020, Issue 15-16
  • DOI: 10.1002/ejic.202000340

The effect of barium-promoted for microsphere Ru/CeO2 catalysts in ammonia synthesis
text, January 2018


Floating Zone Growth and Characterization of (Ca 1– x Nd x ) 12 Al 14 O 33+6 x ( x ∼ 0.001) Single Crystals
journal, December 2016


Nitrogen Dissociation via Reaction with Lithium Alloys
journal, March 2017


Palladium-bearing intermetallic electride as an efficient and stable catalyst for Suzuki cross-coupling reactions
journal, December 2019


Synthesis of ammonia using sodium melt
journal, September 2017


The encapsulation selectivity for anionic fission products imparted by an electride
journal, September 2019

  • Kuganathan, Navaratnarajah; Chroneos, Alexander; Grimes, Robin W.
  • Scientific Reports, Vol. 9, Issue 1
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Energy Efficient and Intermittently Variable Ammonia Synthesis over Mesoporous Carbon-Supported Cs-Ru Nanocatalysts
journal, April 2019

  • Nishi, Masayasu; Chen, Shih-Yuan; Takagi, Hideyuki
  • Catalysts, Vol. 9, Issue 5
  • DOI: 10.3390/catal9050406

Mild Ammonia Synthesis over Ba-Promoted Ru/MPC Catalysts: Effects of the Ba/Ru Ratio and the Mesoporous Structure
journal, May 2019

  • Nishi, Masayasu; Chen, Shih-Yuan; Takagi, Hideyuki
  • Catalysts, Vol. 9, Issue 5
  • DOI: 10.3390/catal9050480

Technetium Encapsulation by A Nanoporous Complex Oxide 12CaO•7Al2O3 (C12A7)
journal, May 2019

  • Kuganathan, Navaratnarajah; Chroneos, Alexander
  • Nanomaterials, Vol. 9, Issue 6
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