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Paper Abstract and Keywords
Presentation 2018-11-22 09:50
Screening of nitrogen reduction catalyst for electrolysis under low temperature and ordinary pressure
Koki Iwanami, Hidenobu Shiroishi (NITTC) EE2018-35 CPM2018-63 OME2018-23 Link to ES Tech. Rep. Archives: CPM2018-63 OME2018-23
Abstract (in Japanese) (See Japanese page) 
(in English) Ammonia is expected as a hydrogen carrier in realizing a hydrogen society. In this study, we calculated the catalyst structure which can synthesize ammonia with less energy by semiempirical molecular orbital calculations with PM7 Hamiltonian. It was clarified that two protons are bonded to N_{2}, only when Os, Mo, or Fe is used as an active site. Also, activation enthalpy is in the order of W < Fe < Ru, therefore, it was concluded that an iron atom is a promising candidate for the active center of ammonia synthesis catalysts. A Fe-coordinated carbon catalyst was synthesized by the immersing the nitrogen-doped Ketjenblack into a Fe(III) aqueous solution, and electrochemical nitrogen reduction reactions using the catalysts were studied using a half cell with a three-phase interface. As a result, it was confirmed that the amount of ammonia produced by the Fe-coordinated carbon catalyst is larger than that by the non-coordinated carbon catalyst, however, Faraday efficiency and energy conversion efficiency decrease due to the enhancement of proton reduction reaction.
Keyword (in Japanese) (See Japanese page) 
(in English) Ammonia / nitrogen reduction / semiempirical molecular orbital calculation / Fe coordinate catalyst / / / /  
Reference Info. IEICE Tech. Rep., vol. 118, no. 320, OME2018-23, pp. 51-54, Nov. 2018.
Paper # OME2018-23 
Date of Issue 2018-11-14 (EE, CPM, OME) 
ISSN Print edition: ISSN 0913-5685    Online edition: ISSN 2432-6380
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Download PDF EE2018-35 CPM2018-63 OME2018-23 Link to ES Tech. Rep. Archives: CPM2018-63 OME2018-23

Conference Information
Committee EE CPM OME  
Conference Date 2018-11-21 - 2018-11-22 
Place (in Japanese) (See Japanese page) 
Place (in English) Kikai-Shinko-Kaikan Bldg. 
Topics (in Japanese) (See Japanese page) 
Topics (in English) Energy,Device, Battery, others 
Paper Information
Registration To OME 
Conference Code 2018-11-EE-CPM-OME 
Language Japanese 
Title (in Japanese) (See Japanese page) 
Sub Title (in Japanese) (See Japanese page) 
Title (in English) Screening of nitrogen reduction catalyst for electrolysis under low temperature and ordinary pressure 
Sub Title (in English)  
Keyword(1) Ammonia  
Keyword(2) nitrogen reduction  
Keyword(3) semiempirical molecular orbital calculation  
Keyword(4) Fe coordinate catalyst  
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1st Author's Name Koki Iwanami  
1st Author's Affiliation National Institute of Technology Tokyo College (NITTC)
2nd Author's Name Hidenobu Shiroishi  
2nd Author's Affiliation National Institute of Technology Tokyo College (NITTC)
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Speaker Author-1 
Date Time 2018-11-22 09:50:00 
Presentation Time 25 minutes 
Registration for OME 
Paper # EE2018-35, CPM2018-63, OME2018-23 
Volume (vol) vol.118 
Number (no) no.318(EE), no.319(CPM), no.320(OME) 
Page pp.51-54 
#Pages
Date of Issue 2018-11-14 (EE, CPM, OME) 


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