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轨道杂化在光催化与电催化中的研究进展OA

Research progress on orbital hybridization in photocatalysis and electrocatalysis

中文摘要英文摘要

轨道杂化是调控光、电催化剂性能及能源器件转换效率的重要手段.本文系统综述了轨道杂化在光、电催化领域的研究进展、瓶颈及前景,涵盖其基本定义及典型分类.本文揭示了轨道杂化在调节材料成键效能、本征活性、选择性和稳定性方面的重要作用,综述了轨道杂化在光催化过程(包括光解水、光催化二氧化碳还原、光催化合成氨)和电催化过程(包括电催化析氢析氧、氧还原、二氧化碳还原等)的研究进展,并重点总结了轨道杂化的设计与调控策略(如合金化、元素掺杂、异质结构筑、缺陷工程、配位环境调控等).最后,本文展望了基于轨道杂化调控催化剂性能所面临的关键挑战及发展前景.总之,轨道杂化为设计高活性、高选择性的光/电催化剂及构筑高效率、可持续的储能器件提供了新思路和新方向.

The conversion efficiency and stability of energy-related devices are significantly influenced by the photocatalysts and electrocatalysts.Orbital hybridization has emerged as a crucial strategy to enhance catalytic performance,with significant advancements made in recent years.This review focuses on the progress,challenges,and future prospects of orbital hybridization in photocatalysis and electrocatalysis.It begins with the fundamentals of orbital hybridization,covering basic principles and three typical classifications(reaction-level,structure-level,and cascaded orbital hybridization).It further introduces the vital roles of orbital hybridization in improving bonding efficiency,intrinsic activity,selectivity,and stability of the catalysts.Subsequently,recent advances in tuning orbital hybridization to enhance various photocatalytic and electrocatalytic reactions(e.g.,HER,OER,ORR,and NRR)are highlighted.After that,modulation strategies(e.g.,alloying,heteroatom doping,heterostructure construction,defect engineering,and coordination environment modulation)for orbital hybridization are summarized and discussed from both structural and reaction perspectives.Finally,this review presents the challenges faced in utilizing orbital hybridization to improve catalyst performance and outlines future prospects.By summarizing design strategies related to orbital hybridization,it offers new insights for the tailored construction and optimization of high-activity catalysts,advancing efficient and sustainable energy conversion and storage technologies.

吕宪伟;丁信元;龚家兴;闫旭焕;黄大勇;耿建新;袁忠勇

天津工业大学材料科学与工程学院,天津市先进纤维与储能技术重点实验室,天津 300387天津工业大学材料科学与工程学院,天津市先进纤维与储能技术重点实验室,天津 300387天津工业大学材料科学与工程学院,天津市先进纤维与储能技术重点实验室,天津 300387天津工业大学材料科学与工程学院,天津市先进纤维与储能技术重点实验室,天津 300387天津工业大学材料科学与工程学院,天津市先进纤维与储能技术重点实验室,天津 300387天津工业大学材料科学与工程学院,天津市先进纤维与储能技术重点实验室,天津 300387南开大学材料科学与工程学院,天津 300350

化学化工

轨道杂化光催化剂电催化剂能源器件调控策略

Orbital hybridizationPhotocatalystsElectrocatalystsEnergy-related devicesModulation strategies

《物理化学学报》 2026 (2)

1-30,30

本研究得到了国家自然科学基金(52273215,52311540152)和天津市自然科学基金(22JCQNJC01510)的支持

10.1016/j.actphy.2025.100151

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