New Benchmark Metal-Organic Framework for Ambient Hydrogen Storage: MOF-2087

New Benchmark Metal-Organic Framework for Ambient Hydrogen Storage: MOF-2087 | Research Square window.SnipcartSettings = { analytics: { enabled: false } }; (function() { var accessVector = localStorage.getItem('access_vector') || ''; window.dataLayer = window.dataLayer || []; if (accessVector) { window.dataLayer.push({ user: { profile: { profileInfo: { snid: accessVector } } } }); } })(); (function(w,d,s,l,i){w[l]=w[l]||[];w[l].push({'gtm.start':new Date().getTime(),event:'gtm.js'});var f=d.getElementsByTagName(s)[0],j=d.createElement(s),dl=l!='dataLayer'?'&l='+l:'';j.async=true;j.src='https://www.googletagmanager.com/gtm.js?id='+i+dl;f.parentNode.insertBefore(j,f);})(window,document,'script','dataLayer','GTM-K279D39R'); Browse Preprints In Review Journals COVID-19 Preprints AJE Video Bytes Research Tools Research Promotion AJE Professional Editing AJE Rubriq About Preprint Platform In Review Editorial Policies Our Team Advisory Board Help Center Sign In Submit a Preprint Cite Share Download PDF Article New Benchmark Metal-Organic Framework for Ambient Hydrogen Storage: MOF-2087 Ravindran Sujith, Anbumani P, Sudha Radhika, Rohit Duvvuri, Asif Azeez This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-3854851/v1 This work is licensed under a CC BY 4.0 License Status: Under Review Version 1 posted You are reading this latest preprint version Abstract The poor tradeoff between gravimetric and volumetric hydrogen storage in metal-organic frameworks (MOFs) hinders their commercial use. Despite MOF-5, IRMOF-20, and PCN-610-the benchmarked MOFs- showing good tradeoffs at 77 K, maintaining them at elevated temperatures (298 K) remains challenging. To address this, we propose a bagged-random forest tree-embedded multi-objective particle swarm optimization framework that enhances this tradeoff by optimizing MOF features. Optimization yields 152 feasible feature combinations of MOFs, further matched with 733,792 existing structures. Our nearest neighbor search pinpointed 43 local best MOFs, and the multi-criteria decision-making method highlights the Zn-based MOF 2087 as the global best with enhanced tradeoff. Optimized features of MOF-2087 demonstrate well-balanced hydrogen storage capacities surpassing benchmarked MOFs, even at elevated temperatures (77 K to 298 K). Our study presents MOF-2087 as a new benchmark for enhanced hydrogen storage up to ambient temperature and also suggests an optimization-oriented accelerated screening procedure for selecting suitable MOFs for specified applications. Physical sciences/Energy science and technology/Energy storage/Hydrogen storage/Hydrogen storage materials Physical sciences/Materials science/Materials for energy and catalysis/Metal–organic frameworks Full Text Additional Declarations There is NO Competing Interest. Supplementary Files TOC.docx Supplementarydataset.xlsx Dataset 1 SupplementaryInformation.docx Supplementary Information Cite Share Download PDF Status: Under Review Version 1 posted You are reading this latest preprint version Research Square lets you share your work early, gain feedback from the community, and start making changes to your manuscript prior to peer review in a journal. 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Also discoverable on Platform About Our Team In Review Editorial Policies Advisory Board Help Center Resources Author Services Accessibility API Access RSS feed Manage Cookie Preferences © Research Square 2026 | ISSN 2693-5015 (online) Privacy Policy Terms of Service Do Not Sell My Personal Information {"props":{"pageProps":{"initialData":{"identity":"rs-3854851","acceptedTermsAndConditions":true,"allowDirectSubmit":false,"archivedVersions":[],"articleType":"Article","associatedPublications":[],"authors":[{"id":269070558,"identity":"cfd994a7-08ae-4e97-b630-ef89c259f8d6","order_by":0,"name":"Ravindran 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