Department of Materials Science and Engineering, Massachusetts Institute of Technology (MIT), Cambridge, MA 02139, USA.
Department of Mechanical Engineering, MIT, Cambridge, MA 02139, USA.
Science. 2017 Nov 10;358(6364):751-756. doi: 10.1126/science.aam7092.
Catalysts for chemical and electrochemical reactions underpin many aspects of modern technology and industry, from energy storage and conversion to toxic emissions abatement to chemical and materials synthesis. This role necessitates the design of highly active, stable, yet earth-abundant heterogeneous catalysts. In this Review, we present the perovskite oxide family as a basis for developing such catalysts for (electro)chemical conversions spanning carbon, nitrogen, and oxygen chemistries. A framework for rationalizing activity trends and guiding perovskite oxide catalyst design is described, followed by illustrations of how a robust understanding of perovskite electronic structure provides fundamental insights into activity, stability, and mechanism in oxygen electrocatalysis. We conclude by outlining how these insights open experimental and computational opportunities to expand the compositional and chemical reaction space for next-generation perovskite catalysts.
用于化学和电化学反应的催化剂是现代技术和工业的许多方面的基础，从储能和转换到有毒排放物的减少，再到化学和材料合成。这一角色需要设计高活性、稳定且富含地球的多相催化剂。在这篇综述中，我们将钙钛矿氧化物家族作为开发用于（电）化学转化的催化剂的基础，这些转化涵盖了碳、氮和氧化学。描述了一个用于合理化活性趋势和指导钙钛矿氧化物催化剂设计的框架，随后举例说明了对钙钛矿电子结构的深入理解如何为氧电催化中的活性、稳定性和机制提供基本见解。最后，我们概述了这些见解如何为实验和计算开辟机会，以扩大下一代钙钛矿催化剂的组成和化学反应空间。
