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In this work, density functional theory (DFT) and time-dependent density functional theory (TDDFT) calculations were employed to investigate the electric-field response of the quantum-confined Stark effect (QCSE) in a covalently [2 + 2] cycloaddition-bridged Sc3N@Ih-C80 endohedral metallofullerene dimer. The results showed that, compared with the monomer, covalent bridging significantly enhances the electric-field tunability of energy levels. In the low-to-moderate field regime, the response is mainly governed by the polarizability term, whereas stronger fields promote electron\u2013hole separation and exciton evolution from a Frenkel to a charge-transfer type. These findings elucidate the underlying physical mechanism of electric-field regulated excited states in assembled endohedral metallofullerene dimers and provide theoretical guidance for the design of molecular-scale optoelectronic and quantum devices.<\/jats:p>","DOI":"10.1021\/acs.jpclett.6c01747","type":"journal-article","created":{"date-parts":[[2026,7,23]],"date-time":"2026-07-23T00:14:33Z","timestamp":1784765673000},"page":"8865-8873","source":"Crossref","is-referenced-by-count":0,"title":["Enhanced Quantum-Confined\nStark Effect in Sc3N@\n                    <i>I<\/i>\n                    <i>h<\/i>\n                    -C80 Fullerene Dimers Via Intermolecular\nCoupling"],"prefix":"10.1021","volume":"17","author":[{"given":"Shaohua","family":"Wei","sequence":"first","affiliation":[{"name":"Ion and Electron Beams (Dalian University of Technology), Ministry of Education , , ,","place":["Dalian, China, 116024"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xiaowei","family":"Yang","sequence":"additional","affiliation":[{"name":"Inner Mongolia Normal University , , ,","place":["Hohhot, China, 010022"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yang","family":"Zhao","sequence":"additional","affiliation":[{"name":"Guangdong Polytechnic Normal University , , , ,","place":["Guangzhou, China, 510665"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ning","family":"Li","sequence":"additional","affiliation":[{"name":"Ion and Electron Beams (Dalian University of Technology), Ministry of Education , , ,","place":["Dalian, China, 116024"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yuxi","family":"Wang","sequence":"additional","affiliation":[{"name":"Ion and Electron Beams (Dalian University of Technology), Ministry of Education , , ,","place":["Dalian, China, 116024"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5669-9015","authenticated-orcid":true,"given":"Yan","family":"Su","sequence":"additional","affiliation":[{"name":"Ion and Electron Beams (Dalian University of Technology), Ministry of Education , , ,","place":["Dalian, China, 116024"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,7,22]]},"reference":[{"issue":"2","key":"2026080609094769200_cit1","doi-asserted-by":"publisher","first-page":"338","DOI":"10.1109\/JSTQE.2005.845613","article-title":"Misalignment-Tolerant\nSurface-Normal Low-Voltage Modulator for Optical Interconnects","volume":"11","author":"Helman","year":"2005","journal-title":"IEEE J. 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