| Title: | X-ray absorption fine structure studies on nickel phosphide catalysts for the non-oxidative coupling of methane reaction using a theoretical model |
| Authors: | Al Rashid, Md Harun Browse this author |
| Dipu, Arnoldus Lambertus Browse this author |
| Nishikawa, Yuta Browse this author |
| Ogihara, Hitoshi Browse this author →KAKEN DB |
| Inami, Yuta Browse this author |
| Iguchi, Shoji Browse this author →KAKEN DB |
| Yamanaka, Ichiro Browse this author →KAKEN DB |
| Nagamatsu, Shin-ichi Browse this author |
| Kido, Daiki Browse this author |
| Hu, Bing Browse this author |
| Asakura, Kiyotaka Browse this author →KAKEN DB |
| Keywords: | X-ray absorption spectroscopy |
| FEFF program |
| Nickel phosphide catalyst |
| Methane conversion reaction |
| Theoretical reference |
| Issue Date: | 1-Dec-2021 |
| Publisher: | Elsevier |
| Journal Title: | Radiation Physics and Chemistry |
| Volume: | 189 |
| Start Page: | 109727 |
| Publisher DOI: | 10.1016/j.radphyschem.2021.109727 |
| Abstract: | 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. |
| Rights: | © <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/ |
| http://creativecommons.org/licenses/by-nc-nd/4.0/ |
| Type: | article (author version) |
| URI: | http://hdl.handle.net/2115/90939 |
| Appears in Collections: | 触媒科学研究所 (Institute for Catalysis) > 雑誌発表論文等 (Peer-reviewed Journal Articles, etc)
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