DC Field | Value | Language |
---|---|---|
dc.contributor.author | Park, Ji Chan | ko |
dc.contributor.author | Yeo, Sang Chul | ko |
dc.contributor.author | Chun, Dong Hyun | ko |
dc.contributor.author | Lim, Jung Tae | ko |
dc.contributor.author | Yang, Jung-Il | ko |
dc.contributor.author | Lee, Ho-Tae | ko |
dc.contributor.author | Hong, Sungjun | ko |
dc.contributor.author | Lee, Hyuck Mo | ko |
dc.contributor.author | Kim, Chul Sung | ko |
dc.contributor.author | Jung, Heon | ko |
dc.date.accessioned | 2015-01-29T07:04:59Z | - |
dc.date.available | 2015-01-29T07:04:59Z | - |
dc.date.created | 2014-09-30 | - |
dc.date.created | 2014-09-30 | - |
dc.date.issued | 2014-09 | - |
dc.identifier.citation | JOURNAL OF MATERIALS CHEMISTRY A, v.2, no.35, pp.14371 - 14379 | - |
dc.identifier.issn | 2050-7488 | - |
dc.identifier.uri | http://hdl.handle.net/10203/193827 | - |
dc.description.abstract | Although the reaction results of numerous iron-based Fischer-Tropsch synthesis catalysts containing various promoters have been reported, the research on their theoretical foundation is still insufficient. In the present work, highly activated K-doped chi-Fe5C2/charcoal nanocatalysts were designed using calculations based on density functional theory (DFT), and then prepared using a melt-infiltration process and a subsequent incipient-wetness method of K precursors. The catalyst at K/Fe = 0.075 in an atomic ratio that bears small iron carbide nanoparticles of similar to 18 nm showed the highest activity (1.54 x 10(-4) mol(CO) g(Fe)(-1) s(-1)) and the best hydrocarbon yield (1.41 x 10(-3) g(HC) g(Fe)(-1) s(-1)), as well as a good selectivity for gasoline-range (C-5-C-12) hydrocarbon products in the high-temperature Fischer-Tropsch reaction. | - |
dc.language | English | - |
dc.publisher | ROYAL SOC CHEMISTRY | - |
dc.subject | DENSITY-FUNCTIONAL THEORY | - |
dc.subject | LOWER OLEFINS | - |
dc.subject | POTASSIUM PROMOTER | - |
dc.subject | SYNTHESIS GAS | - |
dc.subject | CATALYSTS | - |
dc.subject | NANOPARTICLES | - |
dc.subject | CO | - |
dc.subject | SPECTROSCOPY | - |
dc.subject | SELECTIVITY | - |
dc.subject | MORPHOLOGY | - |
dc.title | Highly activated K-doped iron carbide nanocatalysts designed by computational simulation for Fischer-Tropsch synthesis | - |
dc.type | Article | - |
dc.identifier.wosid | 000340768000010 | - |
dc.identifier.scopusid | 2-s2.0-84906074959 | - |
dc.type.rims | ART | - |
dc.citation.volume | 2 | - |
dc.citation.issue | 35 | - |
dc.citation.beginningpage | 14371 | - |
dc.citation.endingpage | 14379 | - |
dc.citation.publicationname | JOURNAL OF MATERIALS CHEMISTRY A | - |
dc.contributor.localauthor | Lee, Hyuck Mo | - |
dc.contributor.nonIdAuthor | Park, Ji Chan | - |
dc.contributor.nonIdAuthor | Chun, Dong Hyun | - |
dc.contributor.nonIdAuthor | Lim, Jung Tae | - |
dc.contributor.nonIdAuthor | Yang, Jung-Il | - |
dc.contributor.nonIdAuthor | Lee, Ho-Tae | - |
dc.contributor.nonIdAuthor | Hong, Sungjun | - |
dc.contributor.nonIdAuthor | Kim, Chul Sung | - |
dc.contributor.nonIdAuthor | Jung, Heon | - |
dc.type.journalArticle | Article | - |
dc.subject.keywordPlus | DENSITY-FUNCTIONAL THEORY | - |
dc.subject.keywordPlus | LOWER OLEFINS | - |
dc.subject.keywordPlus | POTASSIUM PROMOTER | - |
dc.subject.keywordPlus | SYNTHESIS GAS | - |
dc.subject.keywordPlus | CATALYSTS | - |
dc.subject.keywordPlus | NANOPARTICLES | - |
dc.subject.keywordPlus | CO | - |
dc.subject.keywordPlus | SPECTROSCOPY | - |
dc.subject.keywordPlus | SELECTIVITY | - |
dc.subject.keywordPlus | MORPHOLOGY | - |
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