화학공학소재연구정보센터
학회 한국화학공학회
학술대회 2021년 가을 (10/27 ~ 10/29, 광주 김대중컨벤션센터)
권호 27권 2호, p.1279
발표분야 [주제별 심포지엄] 탄소중립적 수소 생산 기술 심포지엄(촉매부문위원회)
제목 First-Principles Understanding and Design of Metal Oxides for Solar Hydrogen Production via Water Splitting
초록 Renewable sources of energy are increasingly needed and solar production of hydrogen fuel from water offers significant potential to contribute to these needs if new photocatalyst materials and/or more efficient photocatalytic systems can be identified for visible-light-driven water photoelectrolysis. Transition metal oxides are considered as promising candidate as they are earth abundant, eco-friendly, and stable in aqueous solution. Particularly, Bismuth Vanadate (BiVO4) has attracted much attention, but pristine BiVO4 exhibits poor electron-hole separation and sluggish water-oxidation kinetics. Significant research efforts have been made to enhance the performance of BiVO4. However, the design and successful realization of commercially viable BiVO4-based photoanodes are still rather elusive. This talk will highlight the strong effects of crystal phase and doping on the photocatalytic activity of BiVO4 that have been found from combined first-principles and experimental studies. The improved understanding offers important guidance for the rational design of metal oxide-based photocatalysts.
저자 Gyeong S. Hwang
소속 The Univ. of Texas at Austin
키워드 Photocatalysis; Hydrogen; Metal oxide; First-principles modeling
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