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A heteroatomlock strategy is introduced into the COF acceptor structure, where “lock” increases coplanarity and conjugation and “heteroatom” improves O2 adsorption. The N-heteroatom locked COF reaches 2.08 mmol g−1 h−1 and yields 2.1 and 4.7 times higher performance than S-locked and original COFs. Enhanced production is linked to lower exciton binding energy, reduced charge transfer resistance, increased O2 adsorption energy, and lower intermediate transition-state energy. A gas diffusion reaction system further boosts yield to 4.06 mmol g−1 h−1 while enabling immobilization and efficient recycling of the COF catalyst, offering a new reaction-system design approach.",{"@graph":69,"@context":122},[70,84,105],{"@type":71,"itemListElement":72},"BreadcrumbList",[73,77,79,82],{"item":74,"name":75,"@type":76,"position":8},"https://docshare.wps.com","Home","ListItem",{"item":78,"name":9,"@type":76,"position":14},"https://docshare.wps.com/document/",{"item":80,"name":40,"@type":76,"position":81},"https://docshare.wps.com/document/research-report/",3,{"item":83,"name":65,"@type":76,"position":19},"https://docshare.wps.com/document/boosting-the-photocatalytic-h2o2-production-of-covalent-organic-frameworks-with-a-heteroatomlocked-acceptor-and-gas-diffusion-system/450024/",{"url":83,"name":65,"@type":85,"image":86,"author":91,"headline":65,"publisher":94,"fileFormat":97,"inLanguage":63,"description":67,"dateModified":98,"datePublished":99,"encodingFormat":97,"isAccessibleForFree":100,"interactionStatistic":101},"DigitalDocument",{"url":87,"@type":88,"width":89,"height":90},"https://docshare.wps.com/thumbnails/boosting-the-photocatalytic-h2o2-production-of-covalent-organic-frameworks-with-a-heteroatomlocked-acceptor-and-gas-diffusion-system/450024.png","ImageObject",300,407,{"name":92,"@type":93},"Logic","Person",{"url":74,"name":95,"@type":96},"DocShare","Organization","application/pdf","2026-10-06","2026-09-30",true,{"@type":102,"interactionType":103,"userInteractionCount":39},"InteractionCounter",{"@type":104},"ViewAction",{"@type":106,"mainEntity":107},"FAQPage",[108,114,118],{"name":109,"@type":110,"acceptedAnswer":111},"What strategy is used to improve COF photocatalytic H2O2 production?","Question",{"text":112,"@type":113},"A heteroatomlock strategy is introduced into the acceptor structure of COFs. The “lock” effect enhances coplanarity and conjugation, while the “heteroatom” effect improves O2 adsorption.","Answer",{"name":115,"@type":110,"acceptedAnswer":116},"How much higher is the H2O2 yield of the N-heteroatom locked COF compared with other samples?",{"text":117,"@type":113},"The N-heteroatom locked COF shows 2.08 mmol g−1 h−1, which is 2.1 times that of the S-heteroatom locked COF and 4.7 times that of the original COF under pure water and air conditions.",{"name":119,"@type":110,"acceptedAnswer":120},"Why does the heteroatom-lock enhance COF photocatalytic H2O2 production?",{"text":121,"@type":113},"Experimental results and theoretical calculations attribute the enhancement to lower exciton binding energy and smaller charge transfer resistance, together with larger O2 adsorption energy and lower transition-state energy of the intermediates.","https://schema.org",{"og:url":83,"og:type":124,"og:title":65,"og:site_name":95,"og:description":67},"article",{"robots":126,"canonical":83},"index,follow",{"doc_id":128,"site_id":62},450024,1790766209,{"code":4,"msg":5,"data":131},{"doc_id":128,"user_id":132,"nickname":92,"user_avatar":133,"doc_module":4,"category_id":39,"category_name":40,"doc_title":65,"doc_description":67,"doc_content":134,"file_id":135,"file_url":136,"file_type":137,"file_size":138,"view_count":39,"is_deleted":4,"is_public":8,"is_downloadable":8,"audit_status":8,"page_count":44,"language":139,"language_code":63,"site_id":62,"html_lang":63,"table_of_contents":140,"faqs":141,"seo_title":142,"seo_description":67,"update_tm":143,"read_time":144},1099513958762,"https://ap-avatar.wpscdn.com/avatar/1000023916a998db790?x-image-process=image/resize,m_fixed,w_180,h_180&k=1784791008015729253","Chemical Science  \nEDGE ARTICLE  \nCite this: DOI: 10 .1039/d5sc05346c  \nAll publication charges for this article have been paid for by the Royal Society of Chemistry  \nReceived 18th July 2025  \nAccepted 6th November 2025 DOI: 10.1039/d5sc05346c[rsc.li/chemical-science](rsc.li/chemical-science)  \nBoosting the photocatalytic H2O2 production of covalent organic frameworks with a heteroatomlocked acceptor and gas diffusion system  \nQianshuo Nan,†ab Jing Ning, †b Bing Han,  c Hongtao Wei,b Xuefeng Wang,  *b Ying-Ying Gu,*a Shengxiang Zhou,d Guangqiang Cao,b Guangze Zhang,b Xuehui Li, b Yonggang Jia*e and Long Hao  *b  \nSimultaneously improving charge carrier separation and surface reaction efficiency is crucial for enhancing the photocatalytic H2O2 production efficiency of covalent organic frameworks (COFs) . Here, a heteroatomlock strategy is introduced into the acceptor structure of COFs, with the “lock” effect to enhance the coplanarity and conjugation, and the “heteroatom” effect to improve the O2 adsorption. It turns out that the photocatalytic H2O2 production yield of the N-heteroatom locked COF (2 . 08 mmol g −1 h −1 under pure water and air conditions) is 2.1 times that of the S-heteroatom locked COF and 4.7 times that of the original COF. Experimental results and theoretical calculations reveal that the heteroatom-lock-induced H2O2 production enhancement of COFs is attributed to their lower exciton binding energy (Eb) and smaller charge transfer resistance, together with the bigger O2 adsorption energy and lower transition state energy of the intermediates. Additionally, a novel gas diffusion reaction system is developed to further improve the O2 diffusion efficiency, which not only enhances the photocatalytic H2O2 production yield to 4 . 06 mmol g −1 h −1, but also realizes the immobilization and efficient recycling of the COF catalyst. This study provides new insights into the rational design of COF-based photocatalysts, andoffers a novel approach for the reaction system of photocatalytic H2O2 production.  \nIntroduction  \nGiven the worsening global energy crisis and environmental degradation, the need for sustainable and non-polluting energy solutions is becoming increasingly urgent. Hydrogen peroxide (H2O2) is a carbon-neutral fuel alternative with an energy density comparable to that of hydrogen,1–3 and its crucial role in sterilization, bleaching, organic synthesis, and environmental remediation with harmless by-product makes it a versatile environmentally friendly oxidant.4,5 Currently, industrial H2O2 production relies on the anthraquinone (AQ) process, which  \naCollege of Chemistry and Chemical Engineering, China University of Petroleum (East  \nChina), Qingdao 266580, [P. R. China. E-mail: yingyinggu@upc.edu.cn](P. R. China. E-mail: yingyinggu@upc.edu.cn)  \nbCollege of Chemistry and Pharmaceutical Sciences, Qingdao Agricultural University, No. 700 Changcheng Road, Qingdao 266109, P. R. China. E-mail: [wxf@qau.edu](wxf@qau.edu). [cnhaol@qau.edu.cn](cnhaol@qau.edu.cn)  \ncMOE Key Laboratory of Resources and Environmental Systems Optimization, College of Environmental Science and Engineering, North China Electric Power University, Beijing, 102206, P.R. China  \ndMarine Science Research Institute of Shandong Province, 7 Youyun Road, Qingdao, 266104, China  \neShandong Provincial Key Laboratory of Marine Environment and Geological Engineering, Key Laboratory of Marine Environment and Ecology, Ocean University  \nof China, Qingdao 266100, [China. E-mail: yonggang@ouc.edu.cn](China. E-mail: yonggang@ouc.edu.cn)  \n† Q. Nan and J. Ning contributed equally to this work.  \n© 2025 The Author(s) . Published by the Royal Society of Chemistry  \nfaces inherent drawbacks such as high energy consumption from multi-stage hydrogenation/oxidation cycles and pollution from organic by-products.6,7 In comparison, the solar-driven H2O2 production route based on semiconductor photocatalysts with atmospheric O2 and H2O as raw materials, exhibits higher atomic","cbCairy8J8NaDS0x","https://ap.wps.com/l/cbCairy8J8NaDS0x","pdf",1252981,"English","# Introduction\n## Motivation and need for sustainable H2O2 production\n## Limits of existing industrial and photocatalytic routes\n## Prior photocatalysts and the role of COFs\n## Remaining challenges in COF photocatalytic efficiency","[{\"question\":\"What strategy is used to improve COF photocatalytic H2O2 production?\",\"answer\":\"A heteroatomlock strategy is introduced into the acceptor structure of COFs. The “lock” effect enhances coplanarity and conjugation, while the “heteroatom” effect improves O2 adsorption.\"},{\"question\":\"How much higher is the H2O2 yield of the N-heteroatom locked COF compared with other samples?\",\"answer\":\"The N-heteroatom locked COF shows 2.08 mmol g−1 h−1, which is 2.1 times that of the S-heteroatom locked COF and 4.7 times that of the original COF under pure water and air conditions.\"},{\"question\":\"Why does the heteroatom-lock enhance COF photocatalytic H2O2 production?\",\"answer\":\"Experimental results and theoretical calculations attribute the enhancement to lower exciton binding energy and smaller charge transfer resistance, together with larger O2 adsorption energy and lower transition-state energy of the intermediates.\"}]","Boosting the photocatalytic H2O2 production of covalent organic frameworks with a heteroatomlocked acceptor and gas diffusion system | PDF",1790731848,23]