{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,11,10]],"date-time":"2025-11-10T11:10:09Z","timestamp":1762773009371,"version":"build-2065373602"},"reference-count":43,"publisher":"MDPI AG","issue":"11","license":[{"start":{"date-parts":[[2025,11,8]],"date-time":"2025-11-08T00:00:00Z","timestamp":1762560000000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Computation"],"abstract":"<jats:p>In this research article, a silicon carbide (SiC) nanocluster has been designed and characterized as an anode electrode for lithium (Li), sodium (Na), potassium (K), beryllium (Be), magnesium (Mg), boron (B), aluminum (Al) and gallium (Ga)-ion batteries through the formation of SiLiC, SiNaC, SiKC, SiBeC, SiMgC, SiBC, SiAlC and SiGaC nanoclusters. A vast study on energy-saving by SiLiC, SiNaC, SiKC, SiBeC, SiMgC, SiBC, SiAlC and SiGaC complexes was probed using computational approaches accompanying density state analysis of charge density differences (CDDs), total density of states (TDOS) and molecular electrostatic potential (ESP) for hybrid clusters of SiLiC, SiNaC, SiKC, SiBeC, SiMgC, SiBC, SiAlC and SiGaC. The functionalization of Li, Na, K, Be, Mg, B, Al and Ga metal\/metalloid elements can raise the negative charge distribution of carbon elements as electron acceptors in SiLiC, SiNaC, SiKC, SiBeC, SiMgC, SiBC, SiAlC and SiGaC nanoclusters. Higher Si\/C content can increase battery capacity through SiLiC, SiNaC, SiKC, SiBeC, SiMgC, SiBC, SiAlC and SiGaC nanoclusters for energy storage processes and to improve the rate performance by enhancing electrical conductivity.<\/jats:p>","DOI":"10.3390\/computation13110265","type":"journal-article","created":{"date-parts":[[2025,11,10]],"date-time":"2025-11-10T10:35:31Z","timestamp":1762770931000},"page":"265","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Digging SiC Semiconductor Efficiency for Trapping Main Group Metals in Cell Batteries: Application of Computational Chemistry by Mastering the Density Functional Theory Study"],"prefix":"10.3390","volume":"13","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-6896-336X","authenticated-orcid":false,"given":"Fatemeh","family":"Mollaamin","sequence":"first","affiliation":[{"name":"Department of Biomedical Engineering, Faculty of Engineering and Architecture, Kastamonu University, Kastamonu 37150, Turkey"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6665-837X","authenticated-orcid":false,"given":"Majid","family":"Monajjemi","sequence":"additional","affiliation":[{"name":"Department of Chemical Engineering, CTC, Islamic Azad University, Tehran 1496969191, Iran"},{"name":"Department of Biology, Faculty of Science, Kastamonu University, Kastamonu 37100, Turkey"}]}],"member":"1968","published-online":{"date-parts":[[2025,11,8]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"18","DOI":"10.2174\/2666145415666220822120615","article-title":"Recent Progress in SiC Nanostructures as Anode Materials for Lithium-Ion Batteries","volume":"16","author":"Fan","year":"2023","journal-title":"Curr. 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