| 학회 | 한국화학공학회 |
| 학술대회 | 2017년 가을 (10/25 ~ 10/27, 대전컨벤션센터) |
| 권호 | 23권 2호, p.1904 |
| 발표분야 | 에너지 환경 |
| 제목 | Exploration of lithium oxide, Li2O (111) surface for CO2 adsorption |
| 초록 | Carbon dioxide (CO2) has negative effects on our environment, such as global warming and climate change. There are many available technologies for carbon capture and storage (CCS), such as absorption, adsorption, or separation using membranes [1]. In this study, we specifically explored the (111) surface of lithium oxide (Li2O) for CO2 adsorption. The alkali metal oxide surface shows high stability in CO2 [2]. Using density functional theory (DFT), we calculated the adsorption energies of CO2 at various possible adsorption sites on this surface. Besides, the effect of the strain (from -3% to +3%) and the dopants introduced to the surface on the CO2 adsorption energies was examined. These results will be useful for designing promising solid sorbents for CO2 capture. References [1] A. Meisen, X. Shuai, Energy Convers. Manage., 38 (1997) S37-S42. [2] C.J. Keturakis, F. Ni, M. Spicer, M.G. Beaver, H.S. Caram, I.E. Wachs, ChemSusChem, 7 (2014) 3459-3466. |
| 저자 | 김영섭, 강성구 |
| 소속 | 울산대 |
| 키워드 | 친환경 |
| 원문파일 | 초록 보기 |
