| 학회 |
한국화학공학회 |
| 학술대회 |
2018년 가을 (10/24 ~ 10/26, 대구 EXCO) |
| 권호 |
24권 2호, p.2035 |
| 발표분야 |
촉매 및 반응공학(Catalysis and Reaction Engineering) |
| 제목 |
First-principles calculation for adsorption of CH4 on NiO (110) surface |
| 초록 |
First principle calculation for adsorption of CH4 on NiO catalyst surface was performed. Various configurations were considered, and the adsorption energy was calculated for each case. Furthermore, calculations have been made on how adsorption configurations and energy change when CO32- ions are present together. These calculations show that CO32- ions can change the adsorption energy of CH4. This study will contribute to the conversion of C1 gas using electrochemical catalyst in the future. |
| 저자 |
김효석, 이원보
|
| 소속 |
서울대 |
| 키워드 |
촉매 및 반응공학 |
| E-Mail |
|
| 원문파일 |
초록 보기 |
