{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,22]],"date-time":"2026-09-22T00:33:27Z","timestamp":1790037207956,"version":"4.0.1"},"reference-count":41,"publisher":"AIP Publishing","issue":"22","funder":[{"DOI":"10.13039\/501100001659","name":"Deutsche Forschungsgemeinschaft","doi-asserted-by":"publisher","award":["ID 390715994\/EXC 2056"],"award-info":[{"award-number":["ID 390715994\/EXC 2056"]}],"id":[{"id":"10.13039\/501100001659","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001659","name":"Deutsche Forschungsgemeinschaft","doi-asserted-by":"publisher","award":["ID 194651731\/EXC 1074"],"award-info":[{"award-number":["ID 194651731\/EXC 1074"]}],"id":[{"id":"10.13039\/501100001659","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["pubs.aip.org"],"crossmark-restriction":true},"short-container-title":[],"published-print":{"date-parts":[[2019,12,14]]},"abstract":"<jats:p>We calculate the optical properties of InP and CdSe colloidal quantum dots (QDs) within the framework of the atomic effective pseudopotential approach and the screened configuration interaction theory. We obtain an excellent agreement with experiment with our microscopic and space-dependent screening function where the dielectric constant varies in real space with a sharp transition (width of \u22480.18 nm) from the QD material high-frequency bulk value inside the QD to the solvent or passivant high-frequency value outside. We obtain a reasonable agreement (with deviations less than 140 meV) for a computationally less demanding solvent-independent screening using the full high-frequency bulk screening, in contrast to the more commonly used reduced QD radius-dependent screening constant. We show theoretically that for QDs passivated with long-chained organic molecules, the influence of the solvent on the optical gap is in the range of 10 meV, while QDs passivated with short ligands can experience shifts in the order of 100 meV. Experiments on CdSe QDs passivated with octadecylphosphonic acid (ODPA, long-chained ligand) in two different solvents (toluene and chloroform) confirm the bandgap dependence. While the optical gap is weakly affected by the environment, the quasiparticle gap and the exciton binding energy show a strong environmental dependence. Finally, we show that the optical bandgap does not depend significantly on the crystal structure (wurtzite or zincblende) or the morphological details (faceted or \u201cspherical\u201d shape).<\/jats:p>","DOI":"10.1063\/1.5128334","type":"journal-article","created":{"date-parts":[[2019,12,9]],"date-time":"2019-12-09T13:59:47Z","timestamp":1575899987000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":26,"title":["Dielectric response function for colloidal semiconductor quantum dots"],"prefix":"10.1063","volume":"151","author":[{"given":"Anastasia","family":"Karpulevich","sequence":"first","affiliation":[{"name":"Institut f\u00fcr Physikalische Chemie, Universit\u00e4t Hamburg 1 , Grindelallee 117, D-20146 Hamburg, Germany"},{"name":"The Hamburg Centre for Ultrafast Imaging 2 , Luruper Chaussee 149, D-22761 Hamburg, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9408-4986","authenticated-orcid":false,"given":"Hanh","family":"Bui","sequence":"additional","affiliation":[{"name":"Institut f\u00fcr Physikalische Chemie, Universit\u00e4t Hamburg 1 , Grindelallee 117, D-20146 Hamburg, Germany"},{"name":"The Hamburg Centre for Ultrafast Imaging 2 , Luruper Chaussee 149, D-22761 Hamburg, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Zhi","family":"Wang","sequence":"additional","affiliation":[{"name":"Institut f\u00fcr Physikalische Chemie, Universit\u00e4t Hamburg 1 , Grindelallee 117, D-20146 Hamburg, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7727-0429","authenticated-orcid":false,"given":"S\u00f6ren","family":"Hapke","sequence":"additional","affiliation":[{"name":"Institut f\u00fcr Physikalische Chemie, Universit\u00e4t Hamburg 1 , Grindelallee 117, D-20146 Hamburg, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3505-6376","authenticated-orcid":false,"given":"Cristina","family":"Palencia Ram\u00edrez","sequence":"additional","affiliation":[{"name":"Institut f\u00fcr Physikalische Chemie, Universit\u00e4t Hamburg 1 , Grindelallee 117, D-20146 Hamburg, Germany"},{"name":"The Hamburg Centre for Ultrafast Imaging 2 , Luruper Chaussee 149, D-22761 Hamburg, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Horst","family":"Weller","sequence":"additional","affiliation":[{"name":"Institut f\u00fcr Physikalische Chemie, Universit\u00e4t Hamburg 1 , Grindelallee 117, D-20146 Hamburg, Germany"},{"name":"The Hamburg Centre for Ultrafast Imaging 2 , Luruper Chaussee 149, D-22761 Hamburg, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2304-0817","authenticated-orcid":false,"given":"Gabriel","family":"Bester","sequence":"additional","affiliation":[{"name":"Institut f\u00fcr Physikalische Chemie, Universit\u00e4t Hamburg 1 , Grindelallee 117, D-20146 Hamburg, Germany"},{"name":"The Hamburg Centre for Ultrafast Imaging 2 , Luruper Chaussee 149, D-22761 Hamburg, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"317","published-online":{"date-parts":[[2019,12,9]]},"reference":[{"key":"2023062609251342400_c1","doi-asserted-by":"crossref","DOI":"10.1017\/CBO9781139022750","volume-title":"Colloidal Quantum Dot Optoelectronics and Photovoltaics","author":"Konstantatos","year":"2013"},{"issue":"6302","key":"2023062609251342400_c2","doi-asserted-by":"publisher","first-page":"aac5523","DOI":"10.1126\/science.aac5523","article-title":"Building devices from colloidal quantum dots","volume":"353","year":"2016","journal-title":"Science"},{"issue":"1","key":"2023062609251342400_c3","doi-asserted-by":"publisher","first-page":"9","DOI":"10.1016\/j.nano.2009.04.008","article-title":"Colloidal nanocarriers: A review on formulation technology, types and applications toward targeted drug delivery","volume":"6","year":"2010","journal-title":"Nanomed.: Nanotechnol., Biol. 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