| 학회 |
한국화학공학회 |
| 학술대회 |
2020년 가을 (10/14 ~ 10/16, e-컨퍼런스) |
| 권호 |
26권 1호, p.1002 |
| 발표분야 |
계산화학 기반 촉매 설계 심포지엄(촉매부문위원회) |
| 제목 |
이론에 기반한 전기화학적 H2O2 생산을 위한고성능 단원자 촉매 개발 |
| 초록 |
The industrial production of H2O2 is heavily dependent on the anthraquinone process, which is a multi-step process that involves the organic solvent separation after the hydrogenation and subsequent oxidation of anthraquinone using expensive palladium catalysts. Therefore, an electrochemical route to H2O2 production under ambient conditions is highly desirable. In this study, first-principles calculations are employed to identify the optimized structure of the single-atom catalyst for the electrochemical reduction of water, which is then successfully synthesized and tested experimentally to result in the record-high activity of 2.8 mA/cm2 at 0.65 V vs RHE with extremely high selectivity. |
| 저자 |
유종석 |
| 소속 |
서울시립대 |
| 키워드 |
계산화학; 밀도범함수이론; 단원자 촉매; H2O2
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| E-Mail |
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| 원문파일 |
초록 보기 |
