High-energy nitrogen rings stabilized by superatom properties

[2308.05023] High-energy nitrogen rings stabilized by superatom properties Skip to main content Search Submit Donate Log in Search arXiv Press Enter to search · Advanced search Physics > Chemical Physics arXiv:2308.05023 (physics) [Submitted on 9 Aug 2023] Title: High-energy nitrogen rings stabilized by superatom properties Authors: Zhen Gong , Rui Wang , Famin Yu , Chenxi Wan , Xinrui Yang , Zhigang Wang View a PDF of the paper titled High-energy nitrogen rings stabilized by superatom properties, by Zhen Gong and 5 other authors View PDF Abstract: How to stabilize nitrogen-rich high-energy-density molecules under conventional conditions is particularly important for the energy storage and conversion of such systems and has attracted extensive attention. In this work, our theoretical study showed for the first time that the stabilization mechanism of the nitrogen ring conformed to the superatomic properties at the atomic level. This result occurred because the stabilized anionic nitrogen rings generally showed planar high symmetry and the injected electrons occupied the superatomic molecular orbitals (SAMOs) of the nitrogen rings. According to these results, we identified the typical stabilized anionic nitrogen ring structures N64-, N5- and N42-, and their superatomic electronic configurations were 1S21P41D41F22S21P21F21D42P41G41F4, 1S21P41D41P22S21F41D42P4 and 1S21P41D21P21D22S22P41D4, respectively. On this basis, we further designed a pathway to stabilize nitrogen rings by introducing metal atoms as electron donors to form neutral ThN6, LiN5 and MgN4 structures, thereby replacing the anionization of systems. Our study highlights the importance of developing nitrogen-rich energetic materials from the perspective of superatoms. Comments: 6 pages, 3 figures Subjects: Chemical Physics (physics.chem-ph) ; Atomic Physics (physics.atom-ph); Computational Physics (physics.comp-ph) Cite as: arXiv:2308.05023 [physics.chem-ph] (or arXiv:2308.05023v1 [physics.chem-ph] for this version) https://doi.org/10.48550/arXiv.2308.05023 Focus to learn more arXiv-issued DOI via DataCite Journal reference: Adv. Energy Mater. 2024, 14, 2303446 Related DOI : https://doi.org/10.1002/aenm.202303446 Focus to learn more DOI(s) linking to related resources Submission history From: Zhigang Wang [ view email ] [v1] Wed, 9 Aug 2023 15:38:45 UTC (733 KB) Full-text links: Access Paper: View a PDF of the paper titled High-energy nitrogen rings stabilized by superatom properties, by Zhen Gong and 5 other authors View PDF view license Current browse context: physics.chem-ph < prev | next > new | recent | 2023-08 Change to browse by: physics physics.atom-ph physics.comp-ph References & Citations NASA ADS Google Scholar Semantic Scholar export BibTeX citation Loading... BibTeX formatted citation × loading... Data provided by: Bookmark Bibliographic Tools Bibliographic and Citation Tools Bibliographic Explorer Toggle Bibliographic Explorer ( What is the Explorer? ) Connected Papers Toggle Connected Papers ( What is Connected Papers? ) Litmaps Toggle Litmaps ( What is Litmaps? ) scite.ai Toggle scite Smart Citations ( What are Smart Citations? ) Code, Data, Media Code, Data and Media Associated with this Article alphaXiv Toggle alphaXiv ( What is alphaXiv? ) Links to Code Toggle CatalyzeX Code Finder for Papers ( What is CatalyzeX? ) DagsHub Toggle DagsHub ( What is DagsHub? ) GotitPub Toggle Gotit.pub ( What is GotitPub? ) Huggingface Toggle Hugging Face ( What is Huggingface? ) ScienceCast Toggle ScienceCast ( What is ScienceCast? ) Demos Demos Replicate Toggle Replicate ( What is Replicate? ) Spaces Toggle Hugging Face Spaces ( What is Spaces? ) Spaces Toggle TXYZ.AI ( What is TXYZ.AI? ) Related Papers Recommenders and Search Tools Link to Influence Flower Influence Flower ( What are Influence Flowers? ) Core recommender toggle CORE Recommender ( What is CORE? ) Author Venue Institution Topic About arXivLabs arXivLabs: experimental projects with community collaborators arXivLabs is a framework that allows collaborators to develop and share new arXiv features directly on our website. Both individuals and organizations that work with arXivLabs have embraced and accepted our values of openness, community, excellence, and user data privacy. arXiv is committed to these values and only works with partners that adhere to them. Have an idea for a project that will add value for arXiv's community? Learn more about arXivLabs . Which authors of this paper are endorsers? | Disable MathJax ( What is MathJax? ) We gratefully acknowledge support from our major funders , member institutions , , and all contributors. About · Help · Contact · Subscribe · Copyright · Privacy · Accessibility · Operational Status (opens in new tab) Major funding support from

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