Exploring Ce[sup 3+]/Ce[sup 4+] cation ordering in reduced ceria nanoparticles using interionic-potential and density-functional calculations (Q58228438)

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5 February 2020

title

Exploring Ce3+/Ce4+ cation ordering in reduced ceria nanoparticles using interionic-potential and density-functional calculations (English)

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1

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5 February 2020

Konstantin M Neyman

series ordinal

2

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5 February 2020

Francesc Illas Riera

series ordinal

3

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4

Stefan T. Bromley

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language of work or name

English

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publication date

1 August 2009

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Journal of Chemical Physics

5 February 2020

published in

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volume

131

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issue

6

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page(s)

064701

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Combining Theory and Experiment in Determining the Surface Chemistry of Nanocrystals

5 February 2020

cites work

1 reference

First-principlesLDA+UandGGA+Ustudy of cerium oxides: Dependence on the effective U parameter

21 January 2018

1 reference

Understanding Ceria Nanoparticles from First-Principles Calculations

21 January 2018

1 reference

Density functional studies of model cerium oxide nanoparticles

21 January 2018

1 reference

Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms

21 January 2018

1 reference

Towards size-converged properties of model ceria nanoparticles: Monitoring by adsorbed CO using DFT+U approach

21 January 2018

1 reference

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set

21 January 2018

1 reference

Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

21 January 2018

1 reference

From ultrasoft pseudopotentials to the projector augmented-wave method

21 January 2018

1 reference

Li1.5La1.5MO6 (M = W 6+, Te 6+) as a new series of lithium-rich double perovskites for all-solid-state lithium-ion batteries

21 January 2018

1 reference

Density-functional calculations of the structure of near-surface oxygen vacancies and electron localization on CeO2(111).

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.3195063

1 reference

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5 February 2020

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