| 학회 | 한국공업화학회 |
| 학술대회 | 2022년 봄 (05/11 ~ 05/13, 제주국제컨벤션센터(ICC JEJU)) |
| 권호 | 26권 1호 |
| 발표분야 | 우수외국인연구자세션 |
| 제목 | Two-dimensional carbides with dual-active-states mechanism for oxygen reduction reaction: A density functional theory approach |
| 초록 | Weinvestigated a group of two-dimensional transition metal carbides MC2 (M = Cr, Mn, Fe, Tc, Hf,W) and their ORR performance by density functional theory. From density ofstates calculations, all the MC2systems showed metallic feature which also means good electronicconductivity. WC2 showedbest ORR performance with the lowest overpotential at 0.42V. Thedual-active-states mechanism was more favorable than the single-active-sitemechanism. Acknowledgement: This research was supported by theNational Research Foundation of Korea (NRF) funded by the Ministry of Science,ICT & Future Planning (No. 2020M1A2A2080807). |
| 저자 | guo hengquan, 이승걸 |
| 소속 | 부산대 |
| 키워드 | transition metal carbides; two-dimensional; oxygen reduction reactions; dual-active-states mechanism; density functional theory; PEMFC |
