메뉴 건너뛰기




Volumn 130, Issue 12, 2009, Pages

The electronic structure of oxygen atom vacancy and hydroxyl impurity defects on titanium dioxide (110) surface

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; DEFECT DENSITY; DEFECTS; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; METALLIC COMPOUNDS; OXIDE MINERALS; OXYGEN; SCANNING TUNNELING MICROSCOPY; SURFACE DEFECTS; SURFACES; TITANIUM; TITANIUM DIOXIDE; TITANIUM OXIDES; VACANCIES;

EID: 63649107808     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3082408     Document Type: Article
Times cited : (204)

References (73)
  • 20
  • 28
    • 0035891138 scopus 로고    scopus 로고
    • 0028-0836 10.1038/35104607.
    • M. Gratzel, Nature (London) 0028-0836 10.1038/35104607 414, 338 (2001).
    • (2001) Nature (London) , vol.414 , pp. 338
    • Gratzel, M.1
  • 29
    • 42749099803 scopus 로고    scopus 로고
    • 0163-1829 10.1103/PhysRevB.70.045415.
    • K. Onda, B. Li, and H. Petek, Phys. Rev. B 0163-1829 10.1103/PhysRevB.70. 045415 70, 045415 (2004).
    • (2004) Phys. Rev. B , vol.70 , pp. 045415
    • Onda, K.1    Li, B.2    Petek, H.3
  • 35
    • 0000528941 scopus 로고
    • 0039-6028 10.1016/0039-6028(89)90497-4.
    • C. R. Wang and Y. S. Xu, Surf. Sci. 0039-6028 10.1016/0039-6028(89)90497- 4 219, L537 (1989).
    • (1989) Surf. Sci. , vol.219 , pp. 537
    • Wang, C.R.1    Xu, Y.S.2
  • 37
    • 0037041592 scopus 로고    scopus 로고
    • 0009-2614 10.1016/S0009-2614(02)00259-2.
    • T. Bredow and G. Pacchioni, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(02)00259-2 355, 417 (2002).
    • (2002) Chem. Phys. Lett. , vol.355 , pp. 417
    • Bredow, T.1    Pacchioni, G.2
  • 38
    • 0004783011 scopus 로고    scopus 로고
    • 0163-1829 10.1103/PhysRevB.57.1579.
    • A. T. Paxton and L. Thien-Nga, Phys. Rev. B 0163-1829 10.1103/PhysRevB.57.1579 57, 1579 (1998).
    • (1998) Phys. Rev. B , vol.57 , pp. 1579
    • Paxton, A.T.1    Thien-Nga, L.2
  • 39
  • 44
    • 39349104189 scopus 로고    scopus 로고
    • 0021-9606 10.1063/1.2790430.
    • C. Di Valentin, J. Chem. Phys. 0021-9606 10.1063/1.2790430 127, 154705 (2007).
    • (2007) J. Chem. Phys. , vol.127 , pp. 154705
    • Di Valentin, C.1
  • 47
    • 27744460065 scopus 로고
    • 0163-1829 10.1103/PhysRevB.49.14251.
    • G. Kresse and J. Hafner, Phys. Rev. B 0163-1829 10.1103/PhysRevB.49.14251 49, 14251 (1994).
    • (1994) Phys. Rev. B , vol.49 , pp. 14251
    • Kresse, G.1    Hafner, J.2
  • 48
    • 35949007146 scopus 로고
    • 0163-1829 10.1103/PhysRevB.48.13115.
    • G. Kresse and J. Hafner, Phys. Rev. B 0163-1829 10.1103/PhysRevB.48.13115 48, 13115 (1993).
    • (1993) Phys. Rev. B , vol.48 , pp. 13115
    • Kresse, G.1    Hafner, J.2
  • 49
    • 12844286241 scopus 로고
    • 0163-1829 10.1103/PhysRevB.47.558.
    • G. Kresse and J. Hafner, Phys. Rev. B 0163-1829 10.1103/PhysRevB.47.558 47, 558 (1993).
    • (1993) Phys. Rev. B , vol.47 , pp. 558
    • Kresse, G.1    Hafner, J.2
  • 50
    • 33645898818 scopus 로고
    • 0163-1829 10.1103/PhysRevB.45.13244.
    • J. P. Perdew and Y. Wang, Phys. Rev. B 0163-1829 10.1103/PhysRevB.45. 13244 45, 13244 (1992).
    • (1992) Phys. Rev. B , vol.45 , pp. 13244
    • Perdew, J.P.1    Wang, Y.2
  • 51
    • 0011236321 scopus 로고    scopus 로고
    • 0163-1829 10.1103/PhysRevB.59.1758.
    • G. Kresse and D. Joubert, Phys. Rev. B 0163-1829 10.1103/PhysRevB.59.1758 59, 1758 (1999).
    • (1999) Phys. Rev. B , vol.59 , pp. 1758
    • Kresse, G.1    Joubert, D.2
  • 52
    • 33744607543 scopus 로고
    • 0163-1829 10.1103/PhysRevB.31.805.
    • J. Tersoff and D. R. Hamann, Phys. Rev. B 0163-1829 10.1103/PhysRevB.31. 805 31, 805 (1985).
    • (1985) Phys. Rev. B , vol.31 , pp. 805
    • Tersoff, J.1    Hamann, D.R.2
  • 58
    • 63649117752 scopus 로고    scopus 로고
    • The unoccupied state in Fig. is not atomically resolved as Fig. This may be due to image processing software, as well as by machine condition. Both images have been obtained with different tips of different STM machines (even in different countries). However, both images clearly show great mutual consistency in terms of topological differences of oxygen vacancies and OH defects at different electronic states. This should be clear and reproducible evidence that what we see in the STM images in Figs. is not artifact but real existence of oxygen vacancy and OH defects.
    • The unoccupied state in Fig. is not atomically resolved as Fig. This may be due to image processing software, as well as by machine condition. Both images have been obtained with different tips of different STM machines (even in different countries). However, both images clearly show great mutual consistency in terms of topological differences of oxygen vacancies and OH defects at different electronic states. This should be clear and reproducible evidence that what we see in the STM images in Figs. is not artifact but real existence of oxygen vacancy and OH defects.
  • 59
    • 63649092700 scopus 로고    scopus 로고
    • CRYSTAL2003 User's Manual, Torino.
    • V. R. Saunders, CRYSTAL2003 User's Manual, Torino, 2003.
    • (2003)
    • Saunders, V.R.1
  • 62
    • 27644505071 scopus 로고    scopus 로고
    • 0039-6028 10.1016/j.susc.2005.08.015.
    • M. Nolan, S. C. Parker, and G. W. Watson, Surf. Sci. 0039-6028 10.1016/j.susc.2005.08.015 595, 223 (2005).
    • (2005) Surf. Sci. , vol.595 , pp. 223
    • Nolan, M.1    Parker, S.C.2    Watson, G.W.3
  • 64
    • 0000018793 scopus 로고
    • 0163-1829 10.1103/PhysRevB.51.6842.
    • A. Amtout and R. Leonelli, Phys. Rev. B 0163-1829 10.1103/PhysRevB.51. 6842 51, 6842 (1995).
    • (1995) Phys. Rev. B , vol.51 , pp. 6842
    • Amtout, A.1    Leonelli, R.2
  • 68
    • 33846782889 scopus 로고    scopus 로고
    • 0009-2614 10.1016/j.cplett.2007.01.039.
    • D. A. Panayotov and J. T. Yates, Chem. Phys. Lett. 0009-2614 10.1016/j.cplett.2007.01.039 436, 204 (2007).
    • (2007) Chem. Phys. Lett. , vol.436 , pp. 204
    • Panayotov, D.A.1    Yates, J.T.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.