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Journal Abstract Search

312 related items for PubMed ID: 21279212

  • 1. Vacancy-induced magnetism in BaTiO3(001) thin films based on density functional theory.
    Cao D, Cai MQ, Hu WY, Yu P, Huang HT.
    Phys Chem Chem Phys; 2011 Mar 14; 13(10):4738-45. PubMed ID: 21279212
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  • 2. First-principles study for vacancy-induced magnetism in nonmagnetic ferroelectric BaTiO3.
    Cao D, Cai MQ, Zheng Y, Hu WY.
    Phys Chem Chem Phys; 2009 Dec 14; 11(46):10934-8. PubMed ID: 19924328
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  • 3. The electronic properties of an oxygen vacancy at ZrO(2)-terminated (001) surfaces of a cubic PbZrO(3): computer simulations from the first principles.
    Kotomin EA, Piskunov S, Zhukovskii YF, Eglitis RI, Gopejenko A, Ellis DE.
    Phys Chem Chem Phys; 2008 Aug 07; 10(29):4258-63. PubMed ID: 18633546
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  • 5. Density functional study of the interaction between small Au clusters, Au(n) (n=1-7) and the rutile TiO2 surface. II. Adsorption on a partially reduced surface.
    Chrétien S, Metiu H.
    J Chem Phys; 2007 Dec 28; 127(24):244708. PubMed ID: 18163696
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  • 11. Formation of O adatom pairs and charge transfer upon O(2) dissociation on reduced TiO(2)(110).
    Du Y, Deskins NA, Zhang Z, Dohnalek Z, Dupuis M, Lyubinetsky I.
    Phys Chem Chem Phys; 2010 Jun 28; 12(24):6337-44. PubMed ID: 20532418
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  • 12. What are the adsorption sites for CO on the reduced TiO2(110)-1 x 1 surface?
    Zhao Y, Wang Z, Cui X, Huang T, Wang B, Luo Y, Yang J, Hou J.
    J Am Chem Soc; 2009 Jun 17; 131(23):7958-9. PubMed ID: 19456126
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  • 13. N doping of TiO2(110): photoemission and density-functional studies.
    Nambu A, Graciani J, Rodriguez JA, Wu Q, Fujita E, Sanz JF.
    J Chem Phys; 2006 Sep 07; 125(9):094706. PubMed ID: 16965104
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  • 14. The magnetism of titanium-defected undoped rutile TiO2: first-principles calculations.
    Dai H, Li X, Cai X, Wei R.
    Phys Chem Chem Phys; 2020 Nov 18; 22(44):25930-25935. PubMed ID: 33164002
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  • 15. Structural, electronic and magnetic properties of V(2)O(5-x): An ab initio study.
    Xiao ZR, Guo GY.
    J Chem Phys; 2009 Jun 07; 130(21):214704. PubMed ID: 19508084
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  • 19. N2O decomposition on TiO2 (110) from dynamic first-principles calculations.
    Oviedo J, Sanz JF.
    J Phys Chem B; 2005 Sep 01; 109(34):16223-6. PubMed ID: 16853062
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