Li Huixiang, Huang Zhipeng, Zhang Chaofeng, Wang Yehong, Zhang Xiaoqiang, Liang Changhui, Zhang Z Conrad
National-local Joint Engineering Research Center of Biomass Refining and High-quality Utilization, Changzhou University, Changzhou 213164, China.
University of Cambridge, Cambridge, UK.
Chem Soc Rev. 2025 Feb 17;54(4):1905-1923. doi: 10.1039/d4cs00472h.
Multiple oxygenate groups in biomass-based feedstocks are open to multiple catalytic pathways and products, typically resulting in low selectivity for the desired products. In this context, strategies for rational catalyst design are critical to obtain high selectivity for the desired products in biomass upgrading. The Sabatier principle provides a conceptual framework for designing optimal catalysts by following the volcanic relationship between catalyst activity for a reaction and the binding strength of a substrate on a catalyst. The affinity descriptor of catalysts, which scales the interaction strength of the functional groups of substrates with catalysts, can potentially be developed to correlate with catalyst performance in reactions. Specifically, the oxygen affinity of catalysts, as a measure of the interaction strength between oxygenates and catalysts, can be applied to rationalize the oxygenate transformation and guide the rational design of efficient catalysts based on the Sabatier principle. This review highlights the fundamental basis and applications of affinity descriptors in catalysis, with a focus on the oxygen affinity of catalysts for the transformation of biomass-derived oxygenate compounds.
基于生物质的原料中的多个含氧基团可通向多种催化途径和产物，通常导致对所需产物的选择性较低。在这种情况下，合理的催化剂设计策略对于在生物质升级过程中获得对所需产物的高选择性至关重要。萨巴蒂尔原理通过遵循反应的催化剂活性与底物在催化剂上的结合强度之间的火山关系，为设计最佳催化剂提供了一个概念框架。催化剂的亲和性描述符可用于衡量底物官能团与催化剂之间的相互作用强度，有可能将其开发为与反应中的催化剂性能相关联。具体而言，催化剂的氧亲和力作为含氧化合物与催化剂之间相互作用强度的一种度量，可用于合理化含氧化合物的转化，并基于萨巴蒂尔原理指导高效催化剂的合理设计。本综述重点介绍了亲和性描述符在催化中的基本原理和应用，特别关注催化剂对生物质衍生含氧化合物转化的氧亲和力。
