About: Exploring Ce[sup 3+]/Ce[sup 4+] cation ordering in reduced ceria nanoparticles using interionic-potential and density-functional calculations

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About: Exploring Ce[sup 3+]/Ce[sup 4+] cation ordering in reduced ceria nanoparticles using interionic-potential and density-functional calculations Goto Sponge NotDistinct Permalink

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scientific article published on 01 August 2009

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rdf:type	Item
description	wetenschappelijk artikel (nl) bài báo khoa học (vi) наукова стаття, опублікована у 2009 (uk) article scientifique publié en 2009 (fr) im Januar 2009 veröffentlichter wissenschaftlicher Artikel (de) artículu científicu espublizáu n'agostu de 2009 (ast) scientific article published on 01 August 2009 (en)
publication date	wds:Q58228438-F2680338-6DA3-4FAD-866D-8929906AE8DC
publication date	2009-08-01 00:00:00Z (xsd:dateTime)
language of work or name	wds:Q58228438-61354062-54B0-4B06-911D-976DB6E2AAF4
language of work or name	English
cites work	wds:Q58228438-0AC3FC5C-74BC-40F7-9A1A-A41B9AEAF9B4 wds:Q58228438-1208178B-2D39-4BC0-9C3B-DD42E274C20E wds:Q58228438-4E1C9387-90A7-46F9-8D37-8B6DFA1B559F wds:Q58228438-76CE798F-E646-47A0-BEB0-1C0DEFCCD473 wds:Q58228438-87C077CD-53AD-4683-B03B-F6ED8DDC4313 wds:Q58228438-A1EEF993-130C-49BF-A77B-DFD0BD607EF9 wds:Q58228438-B3A12A61-5536-4BD7-B6C1-D59543A73473 wds:Q58228438-C59C8297-A6E5-4B05-ABB8-10917492DF59 wds:Q58228438-C78E1387-B96A-4880-8E97-A4036ABE825D wds:Q58228438-E32053CB-AD08-4DA2-AF39-079BD6514962 wds:Q58228438-E4455E3E-0EEC-4137-A465-9963246932FA
cites work	From ultrasoft pseudopotentials to the projector augmented-wave method Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation Li1.5La1.5MO6 (M = W 6+, Te 6+) as a new series of lithium-rich double perovskites for all-solid-state lithium-ion batteries Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms First-principlesLDA+UandGGA+Ustudy of cerium oxides: Dependence on the effective U parameter Density functional studies of model cerium oxide nanoparticles Density-functional calculations of the structure of near-surface oxygen vacancies and electron localization on CeO2(111). Understanding Ceria Nanoparticles from First-Principles Calculations Combining Theory and Experiment in Determining the Surface Chemistry of Nanocrystals Towards size-converged properties of model ceria nanoparticles: Monitoring by adsorbed CO using DFT+U approach
rdfs:label	Exploring Ce[sup 3+]/Ce[sup 4+] cation ordering in reduced ceria nanoparticles using interionic-potential and density-functional calculations (en) Exploring Ce[sup 3+]/Ce[sup 4+] cation ordering in reduced ceria nanoparticles using interionic-potential and density-functional calculations (nl)
skos:prefLabel	Exploring Ce[sup 3+]/Ce[sup 4+] cation ordering in reduced ceria nanoparticles using interionic-potential and density-functional calculations (en) Exploring Ce[sup 3+]/Ce[sup 4+] cation ordering in reduced ceria nanoparticles using interionic-potential and density-functional calculations (nl)
name	Exploring Ce[sup 3+]/Ce[sup 4+] cation ordering in reduced ceria nanoparticles using interionic-potential and density-functional calculations (en) Exploring Ce[sup 3+]/Ce[sup 4+] cation ordering in reduced ceria nanoparticles using interionic-potential and density-functional calculations (nl)
author	wds:Q58228438-1E7C100C-22A5-4513-962B-76348CBF3DB6 wds:Q58228438-3F16107D-7AC7-449D-9DEF-2D47495A78EB wds:Q58228438-69838F68-90FD-465B-B78B-0B197E4331BA wds:Q58228438-CC76A3F3-468D-44D4-B157-78B084CEC4C3
author	Francesc Illas Riera Annapaola Migani Stefan T Bromley Konstantin M Neyman
title	wds:Q58228438-A5863469-D508-431B-9275-A47C8A5909AB
title	Exploring Ce3+/Ce4+ cation ordering in reduced ceria nanoparticles using interionic-potential and density-functional calculations (en)
page(s)	wds:Q58228438-D397945F-8673-493B-B4C0-3839EFF8B24B
page(s)	064701
instance of	wds:Q58228438-108438A2-D160-4D35-A5E3-599288689FF3
instance of	scholarly article
main subject	wds:Q58228438-32FD08A6-63E5-45D3-865C-58D3D8F59ABB
main subject	nanoparticle
PubMed ID	wds:Q58228438-A5963AA2-49B3-4745-9B42-02DC64795DEC
PubMed ID	http://rdf.ncbi.nlm.nih.gov/pubchem/reference/19691397
PubMed ID	19691397
published in	wds:Q58228438-EE393034-CB17-4338-8098-64716CF65F23
published in	Journal of Chemical Physics
issue	wds:Q58228438-0F81D372-17F9-47AC-BE36-C05EB9ECAC91
volume	wds:Q58228438-D8E0A542-26C9-4B39-A5D9-9370226201F2
issue	6
volume	131
DOI	wds:Q58228438-5AD0D14A-F2B8-47B2-B46F-8B1C2EB4BB34
DOI	http://dx.doi.org/10.1063/1.3195063
DOI	10.1063/1.3195063
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q58228438
is cites work of	Structures and vibrational spectroscopy of partially reduced gas-phase cerium oxide clusters. Advances in computational studies of energy materials Electron localization in defective ceria films: a study with scanning-tunneling microscopy and density-functional theory. Role of step sites on water dissociation on stoichiometric ceria surfaces CO, CO2 and H2 adsorption on ZnO, CeO2, and ZnO/CeO2 surfaces: DFT simulations On the adsorption and formation of Pt dimers on the CeO2(111) surface
is cites work of	wds:Q37766685-7B2F1E5B-3930-4347-BEFC-FF3E0A15D1AD wds:Q45162771-DF289511-3D82-4657-85F1-15F32ADE3461 wds:Q58228370-E14BF5EA-C822-4AE7-8839-C8A1D32BB169 wds:Q52893996-EB6753E1-F94F-42E6-A883-55E1BD9BA70F wds:Q52892607-ED7DE217-5BAD-418C-9A97-CE99A2C262F4 wds:Q58228344-BAE43068-2DB5-4E1A-9E14-777451968B12

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