界面水与催化
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摘要
水的催化反应在界面进行,对新能源开发和环境保护等领域具有至关重要的作用.理解催化反应中材料界面水分子的结构、物性和分子机制,对于解决清洁能源、污水处理等关系国计民生的重大问题具有关键意义.由于水的复杂性,对于水分子在催化反应中的作用至今仍存在很大争议.界面水分子在催化反应中作为反应物、催化剂、溶剂,或是兼而有之,一直是科学界争论的热点话题.近年来,随着原位实验技术和计算机能力的快速提高,人们已经能够在原子尺度对催化反应中的界面水分子行为进行实时观测和理论模拟,为解析水在催化反应中的作用提供了实验依据和理论基础.本文简述当前催化反应中界面水研究面临的巨大机遇和挑战,以及现有实验和理论方法的最新进展和所遇到的困难,为设计优化与水应用相关的高效催化剂提供可行的思路.
Catalysis of water, normally occurring at the interface, is crucial for the development of renewable energy and the environmental protection. Understanding the structures and chemical/physical properties of interfacial water during catalysis is of paramount importance for the sustainable development of human society, such as clean energy, wastewater treatment, and etc. However, owing to its complexity structure and mysterious property, the effect of water during catalysis is still an open question. The role of water during reactions, as reactant, catalyst, solvent, or both, has not been resolved. Recently, with the fast-development of in-situ experimental techniques and the computational capacity,the scientists started to investigate the behaviors of interfacial water using the real-time characterization and theoretical modeling at the atomic level, which provides the evidences and pictures to understand the effects of interfacial water. This paper will briefly introduce the current opportunities and challenges in studying the interfacial water, and the latest development and facing difficulty in experiment and theory, which will be beneficial for the future design of efficient catalysts for their applications in water.
Catalysis of water, normally occurring at the interface, is crucial for the development of renewable energy and the environmental protection. Understanding the structures and chemical/physical properties of interfacial water during catalysis is of paramount importance for the sustainable development of human society, such as clean energy, wastewater treatment, and etc. However, owing to its complexity structure and mysterious property, the effect of water during catalysis is still an open question. The role of water during reactions, as reactant, catalyst, solvent, or both, has not been resolved. Recently, with the fast-development of in-situ experimental techniques and the computational capacity,the scientists started to investigate the behaviors of interfacial water using the real-time characterization and theoretical modeling at the atomic level, which provides the evidences and pictures to understand the effects of interfacial water. This paper will briefly introduce the current opportunities and challenges in studying the interfacial water, and the latest development and facing difficulty in experiment and theory, which will be beneficial for the future design of efficient catalysts for their applications in water.
引文
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