Literature DB >> 12398742

Quantum origin of the oxygen storage capability of ceria.

N V Skorodumova1, S I Simak, B I Lundqvist, I A Abrikosov, B Johansson.   

Abstract

The microscopic mechanism behind the extraordinary ability of ceria to store, release, and transport oxygen is explained on the basis of first-principles quantum mechanical simulations. The oxygen-vacancy formation energy in ceria is calculated for different local environments. The reversible CeO2-Ce2O3 reduction transition associated with oxygen-vacancy formation and migration is shown to be directly coupled with the quantum process of electron localization.

Entities:  

Year:  2002        PMID： 12398742     DOI： 10.1103/PhysRevLett.89.166601

Source DB:  PubMed          Journal:  Phys Rev Lett        ISSN： 0031-9007            Impact factor:   9.161


  25 in total

1.  Fenton-like reaction catalyzed by the rare earth inner transition metal cerium.

Authors:  Eric G Heckert; Sudipta Seal; William T Self
Journal:  Environ Sci Technol       Date:  2008-07-01       Impact factor: 9.028

2.  Density functional study of oxygen vacancy formation and spin density distribution in octahedral ceria nanoparticles.

Authors:  Talgat M Inerbaev; Sudipta Seal; Artëm E Masunov
Journal:  J Mol Model       Date:  2010-03-02       Impact factor: 1.810

Review 3.  Cerium oxide nanoparticles in neuroprotection and considerations for efficacy and safety.

Authors:  Beverly A Rzigalinski; Charles S Carfagna; Marion Ehrich
Journal:  Wiley Interdiscip Rev Nanomed Nanobiotechnol       Date:  2016-11-08

Review 4.  Central nervous system injury meets nanoceria: opportunities and challenges.

Authors:  Wang Yang; Maoting Zhang; Jian He; Mingfu Gong; Jian Sun; Xiaochao Yang
Journal:  Regen Biomater       Date:  2022-06-02

5.  Influence of Fe and Cu Co-Doping on Structural, Magnetic and Electrochemical Properties of CeO2 Nanoparticles.

Authors:  Shalendra Kumar; Faheem Ahmed; Naushad Ahmad; Nagih M Shaalan; Rajesh Kumar; Adil Alshoaibi; Nishat Arshi; Saurabh Dalela; Parvez Ahmad Alvi; Kavita Kumari
Journal:  Materials (Basel)       Date:  2022-06-09       Impact factor: 3.748

6.  Optimization of ionic conductivity in doped ceria.

Authors:  David A Andersson; Sergei I Simak; Natalia V Skorodumova; Igor A Abrikosov; Börje Johansson
Journal:  Proc Natl Acad Sci U S A       Date:  2006-02-14       Impact factor: 11.205

7.  The Effect of Cerium Oxide Nanoparticle Valence State on Reactive Oxygen Species and Toxicity.

Authors:  Katherine M Dunnick; Rajalekshmi Pillai; Kelly L Pisane; Aleksandr B Stefaniak; Edward M Sabolsky; Stephen S Leonard
Journal:  Biol Trace Elem Res       Date:  2015-03-17       Impact factor: 3.738

8.  Reaction Pathway for Coke-Free Methane Steam Reforming on a Ni/CeO2 Catalyst: Active Sites and the Role of Metal-Support Interactions.

Authors:  Agustín Salcedo; Pablo G Lustemberg; Ning Rui; Robert M Palomino; Zongyuan Liu; Slavomir Nemsak; Sanjaya D Senanayake; José A Rodriguez; M Verónica Ganduglia-Pirovano; Beatriz Irigoyen
Journal:  ACS Catal       Date:  2021-06-23       Impact factor: 13.084

9.  Structural characterization of alumina-supported Rh catalysts: effects of ceriation and zirconiation by using metal-organic precursors.

Authors:  Anna B Kroner; Mark A Newton; Moniek Tromp; Andrea E Russell; Andrew J Dent; John Evans
Journal:  Chemphyschem       Date:  2013-08-13       Impact factor: 3.102

10.  Cerium; crystal structure and position in the periodic table.

Authors:  Börje Johansson; Wei Luo; Sa Li; Rajeev Ahuja
Journal:  Sci Rep       Date:  2014-09-17       Impact factor: 4.379
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