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327 related items for PubMed ID: 16900562

  • 1. Characterization of O2-CeO2 interactions using in situ Raman spectroscopy and first-principle calculations.
    Choi YM, Abernathy H, Chen HT, Lin MC, Liu M.
    Chemphyschem; 2006 Sep 11; 7(9):1957-63. PubMed ID: 16900562
    [Abstract] [Full Text] [Related]

  • 2. Identifying the O2 diffusion and reduction mechanisms on CeO2 electrolyte in solid oxide fuel cells: a DFT + U study.
    Chen HT, Chang JG, Chen HL, Ju SP.
    J Comput Chem; 2009 Nov 30; 30(15):2433-42. PubMed ID: 19360791
    [Abstract] [Full Text] [Related]

  • 3. A theoretical study of surface reduction mechanisms of CeO(2)(111) and (110) by H(2).
    Chen HT, Choi YM, Liu M, Lin MC.
    Chemphyschem; 2007 Apr 23; 8(6):849-55. PubMed ID: 17377938
    [Abstract] [Full Text] [Related]

  • 4. O2 evolution on a clean partially reduced rutile TiO2(110) surface and on the same surface precovered with Au1 and Au2: the importance of spin conservation.
    Chrétien S, Metiu H.
    J Chem Phys; 2008 Aug 21; 129(7):074705. PubMed ID: 19044790
    [Abstract] [Full Text] [Related]

  • 5. 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. PubMed ID: 22434262
    [Abstract] [Full Text] [Related]

  • 6. Interaction of oxygen with TiN(001): N<-->O exchange and oxidation process.
    Graciani J, Fdez Sanz J, Asaki T, Nakamura K, Rodriguez JA.
    J Chem Phys; 2007 Jun 28; 126(24):244713. PubMed ID: 17614583
    [Abstract] [Full Text] [Related]

  • 7. Atomic and electronic structure of unreduced and reduced CeO2 surfaces: a first-principles study.
    Yang Z, Woo TK, Baudin M, Hermansson K.
    J Chem Phys; 2004 Apr 22; 120(16):7741-9. PubMed ID: 15267687
    [Abstract] [Full Text] [Related]

  • 8. Energetics and diffusion of intrinsic surface and subsurface defects on anatase TiO2(101).
    Cheng H, Selloni A.
    J Chem Phys; 2009 Aug 07; 131(5):054703. PubMed ID: 19673581
    [Abstract] [Full Text] [Related]

  • 9. Healing of oxygen vacancies on reduced surfaces of gold-doped ceria.
    Nolan M.
    J Chem Phys; 2009 Apr 14; 130(14):144702. PubMed ID: 19368460
    [Abstract] [Full Text] [Related]

  • 10. Adsorption and reactions of O2 on anatase TiO2.
    Li YF, Aschauer U, Chen J, Selloni A.
    Acc Chem Res; 2014 Nov 18; 47(11):3361-8. PubMed ID: 24742024
    [Abstract] [Full Text] [Related]

  • 11. Adsorption and protonation of CO2 on partially hydroxylated gamma-Al2O3 surfaces: a density functional theory study.
    Pan Y, Liu CJ, Ge Q.
    Langmuir; 2008 Nov 04; 24(21):12410-9. PubMed ID: 18834159
    [Abstract] [Full Text] [Related]

  • 12. Temperature evolution of structure and bonding of formic acid and formate on fully oxidized and highly reduced CeO2(111).
    Gordon WO, Xu Y, Mullins DR, Overbury SH.
    Phys Chem Chem Phys; 2009 Dec 21; 11(47):11171-83. PubMed ID: 20024386
    [Abstract] [Full Text] [Related]

  • 13. DFT characterization of adsorbed NH(x) species on Pt(100) and Pt(111) surfaces.
    Novell-Leruth G, Valcarcel A, Clotet A, Ricart JM, Pérez-Ramírez J.
    J Phys Chem B; 2005 Sep 29; 109(38):18061-9. PubMed ID: 16853320
    [Abstract] [Full Text] [Related]

  • 14. Methanol adsorption on the beta-Ga2O3 surface with oxygen vacancies: theoretical and experimental approach.
    Branda MM, Collins SE, Castellani NJ, Baltanas MA, Bonivardi AL.
    J Phys Chem B; 2006 Jun 22; 110(24):11847-53. PubMed ID: 16800487
    [Abstract] [Full Text] [Related]

  • 15. Theoretical study of adsorption of O((3)P) and H(2)O on the rutile TiO(2)(110) surface.
    Qu ZW, Kroes GJ.
    J Phys Chem B; 2006 Nov 23; 110(46):23306-14. PubMed ID: 17107180
    [Abstract] [Full Text] [Related]

  • 16. Density-functional calculation of CeO2 surfaces and prediction of effects of oxygen partial pressure and temperature on stabilities.
    Jiang Y, Adams JB, van Schilfgaarde M.
    J Chem Phys; 2005 Aug 08; 123(6):64701. PubMed ID: 16122329
    [Abstract] [Full Text] [Related]

  • 17. Destruction of SO2 on Au and Cu nanoparticles dispersed on MgO(100) and CeO2(111).
    Rodriguez JA, Liu P, Pérez M, Liu G, Hrbek J.
    J Phys Chem A; 2010 Mar 25; 114(11):3802-10. PubMed ID: 19634883
    [Abstract] [Full Text] [Related]

  • 18. Water adsorption on the stoichiometric and reduced CeO2(111) surface: a first-principles investigation.
    Fronzi M, Piccinin S, Delley B, Traversa E, Stampfl C.
    Phys Chem Chem Phys; 2009 Oct 28; 11(40):9188-99. PubMed ID: 19812840
    [Abstract] [Full Text] [Related]

  • 19. Adsorption, diffusion, and dissociation of molecular oxygen at defected TiO2(110): a density functional theory study.
    Rasmussen MD, Molina LM, Hammer B.
    J Chem Phys; 2004 Jan 08; 120(2):988-97. PubMed ID: 15267936
    [Abstract] [Full Text] [Related]

  • 20. A density functional theory study of atomic oxygen and nitrogen adsorption over alpha-alumina (0001).
    Gamallo P, Sayós R.
    Phys Chem Chem Phys; 2007 Oct 07; 9(37):5112-20. PubMed ID: 17878987
    [Abstract] [Full Text] [Related]

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