X-ray absorption fine structure studies on nickel phosphide catalysts for the non-oxidative coupling of methane reaction using a theoretical model

Al Rashid, Md Harun; Dipu, Arnoldus Lambertus; Nishikawa, Yuta; Ogihara, Hitoshi; Inami, Yuta; Iguchi, Shoji; Yamanaka, Ichiro; Nagamatsu, Shin-ichi; Kido, Daiki; Hu, Bing; Asakura, Kiyotaka

X-ray absorption fine structure studies on nickel phosphide catalysts for the non-oxidative coupling of methane reaction using a theoretical model

Al Rashid, Md Harun; Dipu, Arnoldus Lambertus; Nishikawa, Yuta et al.

Radiation Physics and Chemistry, 2021, 189, 109727

Permalink : https://hdl.handle.net/2115/90939

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アクセス権	open access
URI	https://hdl.handle.net/2115/90939
タイトル	X-ray absorption fine structure studies on nickel phosphide catalysts for the non-oxidative coupling of methane reaction using a theoretical model
著者	Al Rashid, Md Harun ; Dipu, Arnoldus Lambertus ; Nishikawa, Yuta ; Ogihara, Hitoshi ; Inami, Yuta ; Iguchi, Shoji ; Yamanaka, Ichiro ; Nagamatsu, Shin-ichi ; Kido, Daiki ; Hu, Bing ; Asakura, Kiyotaka
著者名 Al Rashid, Md Harun
著者名 Dipu, Arnoldus Lambertus
著者名 Nishikawa, Yuta
e-Rad_Researcher 60452009 著者名 Ogihara, Hitoshi
著者名 Inami, Yuta
e-Rad_Researcher 20803878 著者名 Iguchi, Shoji
e-Rad_Researcher 90240051 著者名 Yamanaka, Ichiro
著者名 Nagamatsu, Shin-ichi
著者名 Kido, Daiki
著者名 Hu, Bing
e-Rad_Researcher 60175164 著者名 Asakura, Kiyotaka
言語	英語
キーワード	X-ray absorption spectroscopy
	FEFF program
	Nickel phosphide catalyst
	Methane conversion reaction
	Theoretical reference
発行日	2021-12-01
出版者	Elsevier
収録物名	Radiation Physics and Chemistry
巻(号)	189
ページ	109727
抄録	SiO2-supported Ni phosphide catalysts are highly active toward the non-oxidative coupling of methane (NOCM) reaction, and their catalytic activity is strongly dependent on their Ni:P ratio. We analyzed Ni phosphide catalysts using X-ray absorption fine structure (XAFS) to elucidate the structure-catalytic activity relationship. Because only Ni2P was available as a reference material, we calculated the theoretical XAFS based on the reference crystal structures using the FEFF program and compared them with the experimental spectra of Ni phosphide catalysts. We demonstrated that catalysts with Ni to P ratios of 1:1, 2:1, and 3:1 consisted mainly of the Ni2P, Ni12P5, and Ni3P, respectively. We found that Ni2P exhibited the highest activity toward NOCM because of its optimum balance of C-H cleavage activity and coke formation. This analysis demonstrated that the theoretical XAFS simulation could be used to identify the structure of supported catalysts based on the crystal structure of reference compounds.
資源タイプ	学術雑誌論文
出版タイプ	Accepted Manuscript
権利情報	Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International
権利情報	© <2021>. This manuscript version is made available under the CC-BY-NC-ND 4.0 license http://creativecommons.org/licenses/by-nc-nd/4.0/
PISSN	0969-806X
関連情報 (isVersionOf)	出版社版DOI https://doi.org/10.1016/j.radphyschem.2021.109727