| 학회 |
한국공업화학회 |
| 학술대회 |
2017년 봄 (05/10 ~ 05/12, 광주 김대중컨벤센센터(Kimdaejung Convention Center)) |
| 권호 |
21권 1호 |
| 발표분야 |
(무기재료1) 차세대 유무기 하이브리드 촉매 연구 개발 동향 I |
| 제목 |
Surface Electronic Structure Analysis for the Design of Hydrogen Production Catalysts |
| 초록 |
Catalysts that are highly selective and active for H2 production from HCOOH decomposition are indispensable to realize HCOOH-based hydrogen storage and distribution. We identify two effective routes to promoting the Pd catalyst for selective H2 production from HCOOH by investigating the effects of transition metals incorporated into the Pd core within density functional theory calculations. Subsequent examination of surface electronic structures provides a theoretical support to the direct correlation between the modified surface electronic structures and the promoted selective H2 production capabilities. The unraveled microscopic factors underlying the promotion of the Pd catalysts provide useful insight into the efforts to overcome limitations of current catalyst technology and make the HCOOH-based H2 storage and distribution economically feasible.
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| 저자 |
이상헌1, 조진원2, 함형철2
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| 소속 |
1이화여자대, 2한국과학기술(연) |
| 키워드 |
Hydrogen; Formic Acid; Catalyst
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| E-Mail |
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