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Under the influence of an electric field, DBPen molecules undergo the phase transitions between the 2D mobile phase and the close-packed phase, as well as point and organizational chirality switching. First-principles calculations demonstrate that the electric field significantly modulates the charge transfer from the substrate to the molecules and induces the Coulomb expansion of the molecular lattice, resulting in phase transitions and chirality switching. Our results contribute to understanding the phase control and chirality manipulation of self-assembled molecular structures on solid surfaces.<\/jats:p>","DOI":"10.1063\/5.0304607","type":"journal-article","created":{"date-parts":[[2026,1,2]],"date-time":"2026-01-02T11:33:46Z","timestamp":1767353626000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":1,"title":["Phase transition and chirality switching of dibenzopentacene on Pb(111) surface driven by Coulomb expansion"],"prefix":"10.1063","volume":"164","author":[{"ORCID":"https:\/\/orcid.org\/0009-0003-0052-7806","authenticated-orcid":false,"given":"Meng-Han","family":"Wang","sequence":"first","affiliation":[{"name":"School of Physical Science and Technology, Southwest University 1 , Chongqing 400715,","place":["China"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mei-Chun","family":"Zhang","sequence":"additional","affiliation":[{"name":"School of Physical Science and Technology, Southwest University 1 , Chongqing 400715,","place":["China"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ya-Xuan","family":"Zhuo","sequence":"additional","affiliation":[{"name":"School of Physical Science and Technology, Southwest University 1 , Chongqing 400715,","place":["China"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yan","family":"Luo","sequence":"additional","affiliation":[{"name":"School of Physical Science and Technology, Southwest University 1 , Chongqing 400715,","place":["China"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2420-9920","authenticated-orcid":false,"given":"Zuo","family":"Li","sequence":"additional","affiliation":[{"name":"School of Science, Guizhou University of Engineering Science 2 , Bi Jie, Guizhou 551700,","place":["China"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1311-3736","authenticated-orcid":false,"given":"Jun-Zhong","family":"Wang","sequence":"additional","affiliation":[{"name":"School of Physical Science and Technology, Southwest University 1 , Chongqing 400715,","place":["China"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Kai","family":"Sun","sequence":"additional","affiliation":[{"name":"School of Physical Science and Technology, Southwest University 1 , Chongqing 400715,","place":["China"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3213-2748","authenticated-orcid":false,"given":"Ji-Yong","family":"Yang","sequence":"additional","affiliation":[{"name":"School of Physical Science and Technology, Southwest University 1 , Chongqing 400715,","place":["China"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2779-6013","authenticated-orcid":false,"given":"Min-Long","family":"Tao","sequence":"additional","affiliation":[{"name":"School of Physical Science and Technology, Southwest University 1 , Chongqing 400715,","place":["China"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"317","published-online":{"date-parts":[[2026,1,2]]},"reference":[{"key":"2026010206334035800_c1","doi-asserted-by":"publisher","first-page":"1683","DOI":"10.1126\/science.283.5408.1683","article-title":"Nanoscale science of single molecules using local probes","volume":"283","year":"1999","journal-title":"Science"},{"key":"2026010206334035800_c2","doi-asserted-by":"publisher","first-page":"891","DOI":"10.1038\/415891a","article-title":"Chiral recognition in dimerization of adsorbed cysteine observed by scanning tunnelling microscopy","volume":"415","year":"2002","journal-title":"Nature"},{"key":"2026010206334035800_c3","doi-asserted-by":"publisher","first-page":"757","DOI":"10.1126\/science.274.5288.757","article-title":"Creation of nanocrystals through a solid-solid phase transition induced by an stm tip","volume":"274","year":"1996","journal-title":"Science"},{"key":"2026010206334035800_c4","doi-asserted-by":"publisher","first-page":"3931","DOI":"10.1021\/acsnano.2c12340","article-title":"Driving a third generation molecular motor with electrons across a surface","volume":"17","year":"2023","journal-title":"ACS Nano"},{"key":"2026010206334035800_c5","doi-asserted-by":"publisher","first-page":"13910","DOI":"10.1021\/ja205998c","article-title":"Chiral induction by seeding surface assemblies of chiral switches","volume":"133","year":"2011","journal-title":"J.\u00a0Am. 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