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Chem. Chem. Phys."],"abstract":"<jats:p>\n                    Holes in PbTiO\n                    <jats:sub>3<\/jats:sub>\n                    form 2D large polarons on oxygen sites (weak coupling), while electrons form small polarons at Titanium sites (strong coupling). Spin\u2013orbit coupling barely affects hole polarons but significantly delocalizes electron polarons.\n                  <\/jats:p>","DOI":"10.1039\/d6cp00106h","type":"journal-article","created":{"date-parts":[[2026,6,10]],"date-time":"2026-06-10T08:48:21Z","timestamp":1781081301000},"page":"15480-15488","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Polaron formation in ferroelectric PbTiO\n                    <sub>3<\/sub>\n                    : an\n                    <i>ab initio<\/i>\n                    theoretical study"],"prefix":"10.1039","volume":"28","author":[{"given":"Zhimeng","family":"Hao","sequence":"first","affiliation":[{"name":"National & Local Joint Engineering Research Center for Applied Technology of Hybrid Nanomaterials, Henan University, Kaifeng 475004, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6869-7022","authenticated-orcid":false,"given":"Taifeng","family":"Liu","sequence":"additional","affiliation":[{"name":"National & Local Joint Engineering Research Center for Applied Technology of Hybrid Nanomaterials, Henan University, Kaifeng 475004, China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2026]]},"reference":[{"key":"D6CP00106H\/cit1\/1","doi-asserted-by":"crossref","first-page":"9405","DOI":"10.1021\/acs.nanolett.2c03303","volume":"22","author":"Li","year":"2022","journal-title":"Nano Lett."},{"key":"D6CP00106H\/cit2\/1","doi-asserted-by":"crossref","first-page":"075816","DOI":"10.1088\/1402-4896\/ac789e","volume":"97","author":"Gilani","year":"2022","journal-title":"Phys. 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