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| Type |
Poster Presentation |
| Area |
Material Chemistry |
| Room No. |
Event Hall |
| Time |
4월 20일 (금요일) 11:00~12:30 |
| Code |
MAT.P-497 |
| Subject |
Ab initio calculations for application of Boron-rich Boron Nitride Nanotubes for CO and NO adsorbents |
| Authors |
Hyeonhu Bae, Heechol Choi1,*
School of Physics, Konkuk University, Korea
1Plasma Technology Research Center, National Fusion Research Institute, Korea
|
| Abstract |
An air pollutant cause serious respiratory disease and other health problems for human. Anthropogenic activity, especially transportation industry emits nearly 50% of all air pollutant. And carbon monoxide (CO) and nitrogen oxides (NOx) make up the greatest portion in the exhaust. Ab initio calculations based on the density functional theory (DFT), for boron-rich boron nitride nanotubes (BN-BNNT) as a pollutant adsorbent, were performed at hybrid functional level. The result shows the BN-BNNT are highly suitable for CO or NO adsorbent with higher binding energy than atmospheric gas molecules, O2 and N2. Also our calculation predicts this functionalized structure could be easily applied without diameter-specific purification process because it has no radial dependences. |
| E-mail |
hhbae199@konkuk.ac.kr |
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121st General Meeting of the KCS