| 학회 | 한국재료학회 |
| 학술대회 | 2004년 봄 (05/14 ~ 05/14, 강릉대학교) |
| 권호 | 10권 1호 |
| 발표분야 | Sensor |
| 제목 | 전산모사를 이용한 탄소나노튜브의 수소 검지 연구 |
| 초록 | Based on the computer simulation using density functional theory (DFT), we propose a mechanism for the sensing of hydrogen gas on carbon nanotubes(CNT). At first, the binding energy of H to a (10,0) CNT is calculated at various coverage case, and the amount of charge transfer and the conductivity change through CNT is also discussed. As is well known, the hydrogen molecule does not adsorb on the CNT surface. But hydrogen molecules can bind to the CNT surface by the medium of Pd atom. We also discuss about the possibility of dissociative adsorption of hydrogen on the Pd-CNT system. |
| 저자 | 공기정, 장현주, 류병환, 최영민, 이정오, 인은정 |
| 소속 | 한국화학(연) |
| 키워드 | DFT; CNT; sensor |
