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This explains the experimental observation of segregation of phosphorus to the Si\u2010rich regions in a material consisting of Si nanocrystals embedded in a SiO<jats:sub>2<\/jats:sub> matrix [Perego et al., Nanotechnology <jats:bold>21<\/jats:bold>, 025602 (2010)]. <jats:boxed-text content-type=\"graphic\" position=\"anchor\"><jats:graphic xmlns:xlink=\"http:\/\/www.w3.org\/1999\/xlink\" mimetype=\"image\/jpeg\" position=\"anchor\" specific-use=\"enlarged-web-image\" xlink:href=\"graphic\/mgra001.jpg\"><jats:alt-text>magnified image<\/jats:alt-text><\/jats:graphic><\/jats:boxed-text><\/jats:p><jats:p>Formation energy of positively charged substitutional phosphorus in a 1.5\u2009nm diameter Si nanoparticle covered by a \u223c2\u2009nm\u2010thick amorphous SiO<jats:sub>2<\/jats:sub> shell, as a function of its distance to the centre.<\/jats:p>","DOI":"10.1002\/pssa.201200149","type":"journal-article","created":{"date-parts":[[2012,8,13]],"date-time":"2012-08-13T08:55:16Z","timestamp":1344848116000},"page":"1847-1850","source":"Crossref","is-referenced-by-count":21,"title":["P\u2010doping of Si nanoparticles: The effect of oxidation"],"prefix":"10.1002","volume":"209","author":[{"given":"Alexandra","family":"Carvalho","sequence":"first","affiliation":[]},{"given":"Sven","family":"\u00d6berg","sequence":"additional","affiliation":[]},{"given":"Manuel","family":"Barroso","sequence":"additional","affiliation":[]},{"given":"Mark J.","family":"Rayson","sequence":"additional","affiliation":[]},{"given":"Patrick","family":"Briddon","sequence":"additional","affiliation":[]}],"member":"311","published-online":{"date-parts":[[2012,8,13]]},"reference":[{"key":"e_1_2_8_1_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.2897291"},{"key":"e_1_2_8_2_2","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.72.113303"},{"key":"e_1_2_8_3_2","doi-asserted-by":"publisher","DOI":"10.1021\/jp300712v"},{"key":"e_1_2_8_4_2","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.80.165326"},{"key":"e_1_2_8_5_2","doi-asserted-by":"publisher","DOI":"10.1007\/978-94-009-0355-5_2"},{"key":"e_1_2_8_6_2","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.75.035211"},{"key":"e_1_2_8_7_2","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1097-461X(1997)65:5<453::AID-QUA9>3.0.CO;2-V"},{"key":"e_1_2_8_8_2","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1521-3951(199909)215:1<809::AID-PSSB809>3.0.CO;2-0"},{"key":"e_1_2_8_9_2","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.43.1993"},{"key":"e_1_2_8_10_2","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.40.3979"},{"key":"e_1_2_8_11_2","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.41.12750"},{"key":"e_1_2_8_12_2","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1521-3951(200001)217:1<131::AID-PSSB131>3.0.CO;2-M"},{"key":"e_1_2_8_13_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.cpc.2007.08.007"},{"key":"e_1_2_8_14_2","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.80.205104"},{"key":"e_1_2_8_15_2","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.58.3641"},{"key":"e_1_2_8_16_2","first-page":"69","volume-title":"Theory of Defects in Semiconductors, Topics in Applied Physics Vol. 104","author":"Goss J. 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