A New Perspective on Hydrogen - Induced Gasochromism in Tungsten Trioxide: the Key Roles of Surface Hydroxyl

A New Perspective on Hydrogen - Induced Gasochromism in Tungsten Trioxide: the Key Roles of Surface Hydroxyl | Authorea try { document.documentElement.classList.add('js'); } catch (e) { } var _gaq = _gaq || []; _gaq.push(['_setAccount', 'G-8VDV14Y67G']); _gaq.push(['_trackPageview']); (function() { var ga = document.createElement('script'); ga.type = 'text/javascript'; ga.async = true; ga.src = ('https:' == document.location.protocol ? 'https://ssl' : 'http://www') + '.google-analytics.com/ga.js'; var s = document.getElementsByTagName('script')[0]; s.parentNode.insertBefore(ga, s); })(); Skip to main content Preprints Collections Wiley Open Research IET Open Research Ecological Society of Japan All Collections About About Authorea FAQs Contact Us Quick Search anywhere Search for preprint articles, keywords, etc. Search Search ADVANCED SEARCH SCROLL This is a preprint and has not been peer reviewed. Data may be preliminary. 20 August 2025 V1 Latest version Share on A New Perspective on Hydrogen - Induced Gasochromism in Tungsten Trioxide: the Key Roles of Surface Hydroxyl Authors : Lin Wang , Ke Yang 0000-0002-7586-3789 [email protected] , Ping Yu , Huan Liu , Qingli Cheng , Anfeng Yu , Zhe Yang , and Xinmei Liu Authors Info & Affiliations https://doi.org/10.22541/au.175565884.44149726/v1 139 views 86 downloads Contents Abstract Supplementary Material Information & Authors Metrics & Citations View Options References Figures Tables Media Share Abstract Understanding the atomic-scale mechanism of hydrogen-induced gasochromism in WO 3 is essential for developing reliable hydrogen sensors. This study combines multi-dimensional in-situ characterization (FTIR, Raman, XPS, XRD, MS) and DFT calculations to investigate hexagonal WO 3 . Key findings reveal fundamental limitations in conventional gasochromic models regarding water generation, lattice restructuring, and reaction kinetics. Surface hydroxyl groups (W-OH) are identified as critical reaction mediators, directly regulating coloration speed and enabling localized surface plasmon resonance (LSPR) shifts. Deuterium tracing confirms a hydrogen migration pathway involving hydroxylation and isotope exchange. Crucially, synergistic catalysis between W-OH and water molecules dramatically enhances atom diffusion efficiency. We propose an innovative “Hydroxyl-Hexagonalchannel Model”: hydrogen atoms form hydronium (H 3 O), undergo W-OH-mediated surface exchange, penetrate hexagonal channels, and generate oxygen vacancies. These vacancies induce electronic transitions via LSPR, causing the characteristic blue coloration. This work establishes a new mechanistic framework for designing advanced hydrogen-sensing materials. Supplementary Material File (manuscript5.docx) Download 1.30 MB Information & Authors Information Version history V1 Version 1 20 August 2025 Copyright This work is licensed under a Non Exclusive No Reuse License. Keywords gasochromic reaction hydroxyl group dynamics oxygen vacancy wo3 Authors Affiliations Lin Wang Sinopec Research Institute of Safety Engineering Co Ltd View all articles by this author Ke Yang 0000-0002-7586-3789 [email protected] Sinopec Research Institute of Safety Engineering Co Ltd View all articles by this author Ping Yu Sinopec Research Institute of Safety Engineering Co Ltd View all articles by this author Huan Liu Sinopec Research Institute of Safety Engineering Co Ltd View all articles by this author Qingli Cheng Sinopec Research Institute of Safety Engineering Co Ltd View all articles by this author Anfeng Yu Sinopec Research Institute of Safety Engineering Co Ltd View all articles by this author Zhe Yang Sinopec Research Institute of Safety Engineering Co Ltd View all articles by this author Xinmei Liu China University of Petroleum East China School of Chemistry and Chemical Engineering View all articles by this author Metrics & Citations Metrics Article Usage 139 views 86 downloads .FvxKWukQNSOunydq8rnd { width: 100px; } Citations Download citation Lin Wang, Ke Yang, Ping Yu, et al. A New Perspective on Hydrogen - Induced Gasochromism in Tungsten Trioxide: the Key Roles of Surface Hydroxyl. Authorea . 20 August 2025. DOI: https://doi.org/10.22541/au.175565884.44149726/v1 If you have the appropriate software installed, you can download article citation data to the citation manager of your choice. Simply select your manager software from the list below and click Download. For more information or tips please see 'Downloading to a citation manager' in the Help menu . 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