N-doped CNT: distribution electron on different ratio N/C for oxygen reduction reaction
Carbon nanotubes (CNTs) have the advantage to improve electrochemical fuel cell reactions by increasing the dispersion of nanoparticles as well as having high strength in mechanical and electrical properties. Therefore, this study presents the comparison of nitrogen doped CNT and other doping he...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Penerbit Universiti Kebangsaan Malaysia
2020
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| Online Access: | http://journalarticle.ukm.my/17210/ http://journalarticle.ukm.my/17210/1/20.pdf |
| _version_ | 1848814255659286528 |
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| author | Nabila .A. Karim, Muhammad Syafiq Alias, Siti Kartom Kamarudin, Norilhamiah Yahya, |
| author_facet | Nabila .A. Karim, Muhammad Syafiq Alias, Siti Kartom Kamarudin, Norilhamiah Yahya, |
| author_sort | Nabila .A. Karim, |
| building | UKM Institutional Repository |
| collection | Online Access |
| description | Carbon nanotubes (CNTs) have the advantage to improve electrochemical fuel cell reactions by increasing the dispersion
of nanoparticles as well as having high strength in mechanical and electrical properties. Therefore, this study presents
the comparison of nitrogen doped CNT and other doping heteroatom on CNT as a catalyst support for application in the
Direct Liquid Fuel Cell (DLFC). The doping ratio in CNT was conducted to determine the effect of the oxygen reduction
reaction. In addition, the effect of CNT diameter in oxygen adsorption also has been tested. The models and calculations
were done using density functional theory (DFT). The result showed that the ratio of N/C is decreases as the diameter of
CNT decreases. The value is even dropped as the unit cell is increased to 1x1x2. The band gap value of CNT before doping
is higher compared to after nitrogen doping. While increasing the diameter of doped CNT has increased the mulliken
charge distribution and thus make the model more stable. In the adsorption energy of molecule oxygen, the 1x1x2 unit cell
of CNT and large diameter show a remarkable and stable compared to in 1x1x1 unit cell and small diameter of CNT. Thus,
the adsorption energy of the oxygen molecule shows a more stable value in the low doping ratio and high CNT diameter
compared to a high doping ratio and a small diameter of the CNT. This result shows the potential of the CNT in helping to
improve electrochemical reaction in DLFC. |
| first_indexed | 2025-11-15T00:31:11Z |
| format | Article |
| id | oai:generic.eprints.org:17210 |
| institution | Universiti Kebangasaan Malaysia |
| institution_category | Local University |
| language | English |
| last_indexed | 2025-11-15T00:31:11Z |
| publishDate | 2020 |
| publisher | Penerbit Universiti Kebangsaan Malaysia |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | oai:generic.eprints.org:172102021-07-27T02:52:50Z http://journalarticle.ukm.my/17210/ N-doped CNT: distribution electron on different ratio N/C for oxygen reduction reaction Nabila .A. Karim, Muhammad Syafiq Alias, Siti Kartom Kamarudin, Norilhamiah Yahya, Carbon nanotubes (CNTs) have the advantage to improve electrochemical fuel cell reactions by increasing the dispersion of nanoparticles as well as having high strength in mechanical and electrical properties. Therefore, this study presents the comparison of nitrogen doped CNT and other doping heteroatom on CNT as a catalyst support for application in the Direct Liquid Fuel Cell (DLFC). The doping ratio in CNT was conducted to determine the effect of the oxygen reduction reaction. In addition, the effect of CNT diameter in oxygen adsorption also has been tested. The models and calculations were done using density functional theory (DFT). The result showed that the ratio of N/C is decreases as the diameter of CNT decreases. The value is even dropped as the unit cell is increased to 1x1x2. The band gap value of CNT before doping is higher compared to after nitrogen doping. While increasing the diameter of doped CNT has increased the mulliken charge distribution and thus make the model more stable. In the adsorption energy of molecule oxygen, the 1x1x2 unit cell of CNT and large diameter show a remarkable and stable compared to in 1x1x1 unit cell and small diameter of CNT. Thus, the adsorption energy of the oxygen molecule shows a more stable value in the low doping ratio and high CNT diameter compared to a high doping ratio and a small diameter of the CNT. This result shows the potential of the CNT in helping to improve electrochemical reaction in DLFC. Penerbit Universiti Kebangsaan Malaysia 2020 Article PeerReviewed application/pdf en http://journalarticle.ukm.my/17210/1/20.pdf Nabila .A. Karim, and Muhammad Syafiq Alias, and Siti Kartom Kamarudin, and Norilhamiah Yahya, (2020) N-doped CNT: distribution electron on different ratio N/C for oxygen reduction reaction. Jurnal Kejuruteraan, 32 (4). pp. 699-705. ISSN 0128-0198 https://www.ukm.my/jkukm/volume-324-2020/ |
| spellingShingle | Nabila .A. Karim, Muhammad Syafiq Alias, Siti Kartom Kamarudin, Norilhamiah Yahya, N-doped CNT: distribution electron on different ratio N/C for oxygen reduction reaction |
| title | N-doped CNT: distribution electron on different ratio N/C for oxygen reduction reaction |
| title_full | N-doped CNT: distribution electron on different ratio N/C for oxygen reduction reaction |
| title_fullStr | N-doped CNT: distribution electron on different ratio N/C for oxygen reduction reaction |
| title_full_unstemmed | N-doped CNT: distribution electron on different ratio N/C for oxygen reduction reaction |
| title_short | N-doped CNT: distribution electron on different ratio N/C for oxygen reduction reaction |
| title_sort | n-doped cnt: distribution electron on different ratio n/c for oxygen reduction reaction |
| url | http://journalarticle.ukm.my/17210/ http://journalarticle.ukm.my/17210/ http://journalarticle.ukm.my/17210/1/20.pdf |