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The adsorption of c2h2, c2h4, and c2h6 on single fe atom doped swcnt: a density functional theory study
Meqorry Yusfi1, Riri Jonuarti2, Triati Dewi Kencana Wungu3, Muhammad Miftahul Munir4, Suprijadi5.
The adsorption of certain hydrocarbon gases (C2H2, C2H4, and C2H6) on Fe-doped and Fedecorated SWCNTs have been researched using Density Functional Theory (DFT)
calculations. Three Fe-decorated SWCNT configurations, which are bridge, hollow, and top
position of Fe on SWCNT, were calculated to discover the highest energy interaction. The
Fe on the hollow configuration was found to be the most stable configuration. The results
also show that Fe-decorated SWCNT has stronger adsorption energy than Fe doped
SWCNT. Based on geometry structure and adsorption energy, Fe-SWCNT has the best
sensitivity for C2H2 compared to C2H4 and C2H6. The adsorption energy order from the
highest to the lowest is C2H2< C2H4 < C2H6.
Affiliation:
- Institut Teknologi Bandung, Indonesia
- Institut Teknologi Bandung, Indonesia
- Institut Teknologi Bandung, Indonesia
- Institut Teknologi Bandung, Indonesia
- Institut Teknologi Bandung, Indonesia
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| Indexation |
| Indexed by |
MyJurnal (2021) |
| H-Index
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2 |
| Immediacy Index
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0.000 |
| Rank |
0 |
| Indexed by |
Scopus 2020 |
| Impact Factor
|
CiteScore (1.3) |
| Rank |
Q3 (Electrical and Electronic Engineering))
Q4 (Electronic, Optical and Magnetic Materials) |
| Additional Information |
SJR (0.298) |
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