| 학회 | 한국화학공학회 |
| 학술대회 | 2016년 봄 (04/27 ~ 04/29, 부산 BEXCO) |
| 권호 | 22권 1호, p.1364 |
| 발표분야 | 신진연구자 심포지엄 |
| 제목 | Modification of the Pd surface electronic structures for selective hydrogen production from formic acid |
| 초록 | Catalysts that are highly selective and active for H 2 production from HCOOH decomposition are indispensible to realize HCOOH-based hydrogen storage and distribution. In this study, we identify two effective routes to promoting the Pd catalyst for selectiev H 2 production from HCOOH by investigating the effects of early transition metals (Sc, Ti, V, and Cr) incorporated into the Pd core suing the density functional theory calculations. First, the asymmetric modification of the Pd surface electronic structure can be an effective route to accelerating the H 2 production rate. Second, in-plane lattice contraction of the Pd surface can be an effective route to suppressing the CO production. The unraveled atomic-scale factors underlying the promotion of the Pd surface catalytic properties provide useful insights into the efforts to overcome limitations of current catalyst technologies in maing the HCOOH-based H 2 storage and distribution economically feasible. |
| 저자 | 이상헌 1 , 함형철 2 |
| 소속 | 1 이화여자대, 2 한국과학기술(연) |
| 키워드 | |
| VOD | VOD 보기 |
| 원문파일 | 초록 보기 |
