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Phase separation an...
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Richter, Jan HinnerkUppsala universitet,Fysiska institutionen,Fysik I,Teoretisk magnetism,Fysik 1
(author)
Phase separation and charge localization in UHV-lithiated anatase TiO2 nanoparticles
- Article/chapterEnglish2005
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Numbers
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LIBRIS-ID:oai:DiVA.org:uu-77449
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https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-77449URI
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https://doi.org/10.1103/PhysRevB.71.235419DOI
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https://lup.lub.lu.se/record/151890URI
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Language:English
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Summary in:English
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Subject category:ref swepub-contenttype
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Subject category:art swepub-publicationtype
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The insertion of lithium in anatase TiO2 nanoparticles under ultrahigh vacuum (UHV) conditions is studied using x-ray absorption spectroscopy (XAS) and resonant photoelectron spectroscopy (RPES) at the Ti L2,3 edge. It is demonstrated that XAS can be used to monitor the separation into an anatase phase and a lithium titanate phase of formal stoichiometry Li0.5TiO2. The initial state properties of the Ti 3d states of the lithium titanate phase are investigated using ab initio electronic structure calculations. The calculations show a correlation driven separation of Ti 3d states from the conduction band in agreement with previous studies. It is shown that Ti in different oxidation states (Ti3+ and Ti4+) is formed as a direct consequence of the electron-electron interaction. RPES and XAS spectra confirm the presence of electronically inequivalent Ti sites. The site-sensitivity of the RPES spectra at selected electron binding energies is found to be consistent with the calculations.
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Added entries (persons, corporate bodies, meetings, titles ...)
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Henningsson, AndersUppsala universitet,Fysiska institutionen,Fysik I,Teoretisk magnetism
(author)
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Sanyal, BiplabUppsala universitet,Fysiska institutionen,Fysik I,Teoretisk magnetism,Theoretical Magnetism(Swepub:uu)bisan676
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Karlsson, PatrikUppsala universitet,Fysiska institutionen,Fysik I,Teoretisk magnetism,Fysik 1(Swepub:uu)pakar991
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Andersson, M. P.
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Uvdal, PerLund University,Lunds universitet,Kemisk fysik,Enheten för fysikalisk och teoretisk kemi,Kemiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Chemical Physics,Physical and theoretical chemistry,Department of Chemistry,Departments at LTH,Faculty of Engineering, LTH(Swepub:lu)chph-puv
(author)
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Siegbahn, HansUppsala universitet,Fysiska institutionen,Fysik I,Teoretisk magnetism,Fysik 1(Swepub:uu)hsi13487
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Eriksson, OlleUppsala universitet,Fysiska institutionen,Fysik I,Teoretisk magnetism,Theoretical Magnetism(Swepub:uu)olleerik
(author)
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Sandell, AndersUppsala universitet,Fysik I,Teoretisk magnetism,Fysik 1(Swepub:uu)andesand
(author)
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Uppsala universitetFysiska institutionen
(creator_code:org_t)
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In:Physical Review B71:23, s. 235419-1098-0121
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