PHOTH-Graphene: A New 2D Carbon Allotrope with Low Barriers for Li-Ion Mobility

PHOTH-Graphene: A New 2D Carbon Allotrope with Low Barriers for Li-Ion Mobility | 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 PHOTH-Graphene: A New 2D Carbon Allotrope with Low Barriers for Li-Ion Mobility E. A. J. Santos, K. A. L. Lima, F. L. L. Mendonça, D. A. Silva, and 2 more This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-4014413/v1 This work is licensed under a CC BY 4.0 License Status: Published Journal Publication published 25 Apr, 2024 Read the published version in Scientific Reports → Version 1 posted 9 You are reading this latest preprint version Abstract The continued interest in 2D carbon allotropes stems from their unique structural and electronic characteristics, crucial for diverse applications. This work theoretically introduces PHOTH-Graphene (PHOTH-G), a novel 2D planar carbon allotrope formed by 4-5-6-7-8 carbon rings. PHOTH-G emerges as a narrow band gap semiconducting material with low formation energy, demonstrating good stability under thermal and mechanical conditions. This material has slight mechanical anisotropy with Young modulus and Poisson ratios varying between 7.08-167.8 GPa and 0.21-0.96. PHOTH-G presents optical activity restricted to the visible range. Li atoms adsorbed on its surface have a migration barrier averaging 0.38 eV. Physical sciences/Materials science/Condensed matter physics Physical sciences/Materials science/Nanoscale materials Physical sciences/Materials science/Theory and computation Physical sciences/Nanoscience and technology/Graphene Full Text Additional Declarations No competing interests reported. Cite Share Download PDF Status: Published Journal Publication published 25 Apr, 2024 Read the published version in Scientific Reports → Version 1 posted Editorial decision: Revision requested 04 Apr, 2024 Reviews received at journal 22 Mar, 2024 Reviewers agreed at journal 19 Mar, 2024 Reviewers agreed at journal 19 Mar, 2024 Reviewers invited by journal 19 Mar, 2024 Editor assigned by journal 19 Mar, 2024 Editor invited by journal 15 Mar, 2024 Submission checks completed at journal 15 Mar, 2024 First submitted to journal 04 Mar, 2024 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. As a division of Research Square Company, we’re committed to making research communication faster, fairer, and more useful. We do this by developing innovative software and high quality services for the global research community. Our growing team is made up of researchers and industry professionals working together to solve the most critical problems facing scientific publishing. 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-4014413","acceptedTermsAndConditions":true,"allowDirectSubmit":false,"archivedVersions":[],"articleType":"Article","associatedPublications":[],"authors":[{"id":280971684,"identity":"15ab51a9-ef09-4412-a370-20aa8a1899ec","order_by":0,"name":"E. A. J. Santos","email":"","orcid":"","institution":"University of Brasília","correspondingAuthor":false,"prefix":"","firstName":"E.","middleName":"A. 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