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Items: 1 to 20 of 338

1.

Oxygen vacancy formation in CeO2 and Ce(1-x)Zr(x)O2 solid solutions: electron localization, electrostatic potential and structural relaxation.

Wang HF, Li HY, Gong XQ, Guo YL, Lu GZ, Hu P.

Phys Chem Chem Phys. 2012 Dec 28;14(48):16521-35. doi: 10.1039/c2cp42220d. Epub 2012 Oct 19.

PMID:
23080297
2.

Oxygen vacancy formation and migration in Ce(1-x)Zr(x)O2 catalyst: a DFT+U calculation.

Chen HT, Chang JG.

J Chem Phys. 2010 Jun 7;132(21):214702. doi: 10.1063/1.3429314.

PMID:
20528036
3.

A theoretic insight into the catalytic activity promotion of CeO2 surfaces by Mn doping.

Cen W, Liu Y, Wu Z, Wang H, Weng X.

Phys Chem Chem Phys. 2012 Apr 28;14(16):5769-77. doi: 10.1039/c2cp00061j. Epub 2012 Mar 20.

PMID:
22434262
4.

Oxygen vacancy formation energy in Pd-doped ceria: a DFT+U study.

Yang Z, Luo G, Lu Z, Hermansson K.

J Chem Phys. 2007 Aug 21;127(7):074704.

PMID:
17718624
5.

Surface stabilized nanosized Ce(x)Zr(1-x)O(2) solid solutions over SiO(2): characterization by XRD, Raman, and HREM techniques.

Reddy BM, Lakshmanan P, Khan A, Loridant S, López-Cartes C, Rojas TC, Fernandez A.

J Phys Chem B. 2005 Jul 21;109(28):13545-52.

PMID:
16852695
6.

Effects of Zr doping on stoichiometric and reduced ceria: a first-principles study.

Yang Z, Woo TK, Hermansson K.

J Chem Phys. 2006 Jun 14;124(22):224704.

PMID:
16784298
7.

Structural characterization of nanosized CeO(2)-SiO(2), CeO(2)-TiO(2), and CeO(2)-ZrO(2) catalysts by XRD, Raman, and HREM techniques.

Reddy BM, Khan A, Lakshmanan P, Aouine M, Loridant S, Volta JC.

J Phys Chem B. 2005 Mar 3;109(8):3355-63.

PMID:
16851365
8.

Doping of ceria surfaces with lanthanum: a DFT + U study.

Yeriskin I, Nolan M.

J Phys Condens Matter. 2010 Apr 7;22(13):135004. doi: 10.1088/0953-8984/22/13/135004. Epub 2010 Feb 25.

PMID:
21389507
9.

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

Inerbaev TM, Seal S, Masunov AE.

J Mol Model. 2010 Oct;16(10):1617-23. doi: 10.1007/s00894-010-0671-2. Epub 2010 Mar 2.

PMID:
20195666
10.

Oxygen vacancy formation and migration in Ce(x)Th(1-x)O2 solid solution.

Xiao HY, Weber WJ.

J Phys Chem B. 2011 May 26;115(20):6524-33. doi: 10.1021/jp202016s. Epub 2011 May 5.

PMID:
21542655
11.

Oxygen vacancy migration in ceria and Pr-doped ceria: a DFT+U study.

Dholabhai PP, Adams JB, Crozier P, Sharma R.

J Chem Phys. 2010 Mar 7;132(9):094104. doi: 10.1063/1.3327684.

PMID:
20210386
12.

The structural and electronic properties of nanostructured Ce1-x-yZrxTbyO2 ternary oxides: unusual concentration of Tb3+ and metal<-->oxygen<-->metal interactions.

Wang X, Hanson JC, Rodriguez JA, Belver C, Fernández-García M.

J Chem Phys. 2005 Apr 15;122(15):154711.

PMID:
15945660
13.

On the interaction of Mg with the (111) and (110) surfaces of ceria.

Nolan M, Lykhach Y, Tsud N, Skála T, Staudt T, Prince KC, Matolín V, Libuda J.

Phys Chem Chem Phys. 2012 Jan 21;14(3):1293-301. doi: 10.1039/c1cp22863c. Epub 2011 Dec 1.

PMID:
22134463
14.

CO Oxidation at the Interface between Doped CeO2 and Supported Au Nanoclusters.

Kim HY, Henkelman G.

J Phys Chem Lett. 2012 Aug 16;3(16):2194-9. doi: 10.1021/jz300631f. Epub 2012 Jul 31.

PMID:
26295770
15.

Thermodynamic, electronic and structural properties of Cu/CeO2 surfaces and interfaces from first-principles DFT+U calculations.

Szabová L, Camellone MF, Huang M, Matolín V, Fabris S.

J Chem Phys. 2010 Dec 21;133(23):234705. doi: 10.1063/1.3515424.

PMID:
21186882
16.
17.

Effects of deposited Pt particles on the reducibility of CeO2(111).

Bruix A, Migani A, Vayssilov GN, Neyman KM, Libuda J, Illas F.

Phys Chem Chem Phys. 2011 Jun 21;13(23):11384-92. doi: 10.1039/c1cp20950g. Epub 2011 May 17.

PMID:
21589983
18.

Unique properties of ceria nanoparticles supported on metals: novel inverse ceria/copper catalysts for CO oxidation and the water-gas shift reaction.

Senanayake SD, Stacchiola D, Rodriguez JA.

Acc Chem Res. 2013 Aug 20;46(8):1702-11. doi: 10.1021/ar300231p. Epub 2013 Jan 3.

PMID:
23286528
19.

Structural characterization of CeO(2)-ZrO(2)/TiO(2) and V(2)O(5)/CeO(2)-ZrO(2)/TiO(2) mixed oxide catalysts by XRD, Raman spectroscopy, HREM, and other techniques.

Reddy BM, Lakshmanan P, Khan A, López-Cartes C, Rojas TC, Fernandez A.

J Phys Chem B. 2005 Feb 10;109(5):1781-7.

PMID:
16851158
20.

Density functional studies of model cerium oxide nanoparticles.

Loschen C, Migani A, Bromley ST, Illas F, Neyman KM.

Phys Chem Chem Phys. 2008 Oct 1;10(37):5730-8. doi: 10.1039/b805904g. Epub 2008 Aug 6.

PMID:
18956108
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