메뉴 건너뛰기




Volumn 100, Issue 11, 2008, Pages

Activation of Al2O3 by a long-ranged chemical bond mechanism

Author keywords

[No Author keywords available]

Indexed keywords

ADSORBATES; ADSORPTION; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY;

EID: 41149153954     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.100.116801     Document Type: Article
Times cited : (31)

References (31)
  • 3
    • 0037427325 scopus 로고    scopus 로고
    • JACSAT 0002-7863 10.1021/ja029076g
    • S. Linic and M.A. Barteau, J. Am. Chem. Soc. 125, 4034 (2003). JACSAT 0002-7863 10.1021/ja029076g
    • (2003) J. Am. Chem. Soc. , vol.125 , pp. 4034
    • Linic, S.1    Barteau, M.A.2
  • 9
    • 33745685795 scopus 로고    scopus 로고
    • JPCBFK 1520-6106 10.1021/jp0616415
    • H. Grönbeck, J. Phys. Chem. B 110, 11977 (2006). JPCBFK 1520-6106 10.1021/jp0616415
    • (2006) J. Phys. Chem. B , vol.110 , pp. 11977
    • Grönbeck, H.1
  • 12
  • 13
    • 3242752628 scopus 로고    scopus 로고
    • SCIEAS 0036-8075 10.1126/science.1099557
    • J. Repp, G. Meyer, F.E. Olsson, and M. Persson, Science 305, 493 (2004). SCIEAS 0036-8075 10.1126/science.1099557
    • (2004) Science , vol.305 , pp. 493
    • Repp, J.1    Meyer, G.2    Olsson, F.E.3    Persson, M.4
  • 14
    • 33847751109 scopus 로고    scopus 로고
    • SUSCAS 0039-6028 10.1016/j.susc.2007.01.025
    • H.-J. Freund, Surf. Sci. 601, 1438 (2007). SUSCAS 0039-6028 10.1016/j.susc.2007.01.025
    • (2007) Surf. Sci. , vol.601 , pp. 1438
    • Freund, H.-J.1
  • 15
    • 9744238855 scopus 로고    scopus 로고
    • CRSEC9 0161-4940 10.1081/CR-200036718
    • R. Burch, Catal. Rev. Sci. Eng. CRSEC9 0161-4940 46, 271 (2004). 10.1081/CR-200036718
    • (2004) Catal. Rev. Sci. Eng. , vol.46 , pp. 271
    • Burch, R.1
  • 18
    • 4644265529 scopus 로고    scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.59.7413
    • B. Hammer and L.B. Hansen, and J.K. Nørskov, Phys. Rev. B PRBMDO 0163-1829 59, 7413 (1999); 10.1103/PhysRevB.59.7413
    • (1999) Phys. Rev. B , vol.59 , pp. 7413
    • Hammer, B.1    Hansen, L.B.2    Nørskov, J.K.3
  • 19
    • 0036572216 scopus 로고    scopus 로고
    • CSENFA 1521-9615 10.1109/5992.998641
    • S.R. Bahn and K.W. Jacobsen, Comput. Sci. Eng. CSENFA 1521-9615 4, 56 (2002). 10.1109/5992.998641
    • (2002) Comput. Sci. Eng. , vol.4 , pp. 56
    • Bahn, S.R.1    Jacobsen, K.W.2
  • 20
    • 20544463457 scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.41.7892
    • D. Vanderbilt, Phys. Rev. B PRBMDO 0163-1829 41, R7892 (1990). 10.1103/PhysRevB.41.7892
    • (1990) Phys. Rev. B , vol.41 , pp. 7892
    • Vanderbilt, D.1
  • 21
    • 0001048838 scopus 로고    scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.59.12301
    • L. Bengtsson, Phys. Rev. B PRBMDO 0163-1829 59, 12301 (1999). 10.1103/PhysRevB.59.12301
    • (1999) Phys. Rev. B , vol.59 , pp. 12301
    • Bengtsson, L.1
  • 22
    • 4243606192 scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.55.2471
    • R. Car and M. Parrinello, Phys. Rev. Lett. 55, 2471 (1985). PRLTAO 0031-9007 10.1103/PhysRevLett.55.2471
    • (1985) Phys. Rev. Lett. , vol.55 , pp. 2471
    • Car, R.1    Parrinello, M.2
  • 24
    • 33645426115 scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.43.1993
    • N. Troullier and J.L. Martins, Phys. Rev. B PRBMDO 0163-1829 43, 1993 (1991). 10.1103/PhysRevB.43.1993
    • (1991) Phys. Rev. B , vol.43 , pp. 1993
    • Troullier, N.1    Martins, J.L.2
  • 25
    • 4243943295 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865
    • J.P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996). PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 26
    • 41149120375 scopus 로고    scopus 로고
    • note
    • The calculated lattice parameter for Ag in the bulk phase is a=4.13 using DACAPO (CMPD). The lattice parameters for the hexagonal unit cell of Al2O3 are a=4.80 (4.79) and c=13.12 (13.06). The N-O bond length and O-N-O angle of NO2 in the gas phase are 1.22 (1.21) and 134°(134°), respectively. The corresponding angle for NO2- is 115° (115°).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.