物理化学学报2026，Vol.42Issue(2)：1-30,30.DOI:10.1016/j.actphy.2025.100151
轨道杂化在光催化与电催化中的研究进展
Research progress on orbital hybridization in photocatalysis and electrocatalysis
摘要
Abstract
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.关键词
轨道杂化/光催化剂/电催化剂/能源器件/调控策略Key words
Orbital hybridization/Photocatalysts/Electrocatalysts/Energy-related devices/Modulation strategies分类
化学化工引用本文复制引用
吕宪伟,丁信元,龚家兴,闫旭焕,黄大勇,耿建新,袁忠勇..轨道杂化在光催化与电催化中的研究进展[J].物理化学学报,2026,42(2):1-30,30.基金项目
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 （52273215,52311540152）
