메뉴 건너뛰기




Volumn 106, Issue 16, 2011, Pages

Structure of the rutile TiO2(011) surface in an aqueous environment

Author keywords

[No Author keywords available]

Indexed keywords

AQUEOUS ENVIRONMENT; FIRST-PRINCIPLES SIMULATIONS; LIQUID WATER; LOW WATER; PHOTOCATALYTIC APPLICATION; RUTILE TIO; TIO;

EID: 79960621759     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.106.166102     Document Type: Article
Times cited : (45)

References (23)
  • 2
    • 0035891138 scopus 로고    scopus 로고
    • Photoelectrochemical cells
    • DOI 10.1038/35104607
    • M. Grätzel, Nature (London) NATUAS 0028-0836 414, 338 (2001). 10.1038/35104607 (Pubitemid 33097816)
    • (2001) Nature , vol.414 , Issue.6861 , pp. 338-344
    • Gratzel, M.1
  • 3
    • 56349101581 scopus 로고    scopus 로고
    • SSREDI 0167-5729 10.1016/j.surfrep.2008.10.001
    • A. Fujishima, X.T. Zhang, and D.A. Tryk, Surf. Sci. Rep. 63, 515 (2008). SSREDI 0167-5729 10.1016/j.surfrep.2008.10.001
    • (2008) Surf. Sci. Rep. , vol.63 , pp. 515
    • Fujishima, A.1    Zhang, X.T.2    Tryk, D.A.3
  • 4
    • 0037233037 scopus 로고    scopus 로고
    • SSREDI 0167-5729 10.1016/S0167-5729(02)00100-0
    • U. Diebold, Surf. Sci. Rep. 48, 53 (2003). SSREDI 0167-5729 10.1016/S0167-5729(02)00100-0
    • (2003) Surf. Sci. Rep. , vol.48 , pp. 53
    • Diebold, U.1
  • 5
    • 0003752338 scopus 로고
    • Cambridge University Press, Cambridge, U.K.
    • A. Zangwill, Physics at Surfaces (Cambridge University Press, Cambridge, U.K., 1988).
    • (1988) Physics at Surfaces
    • Zangwill, A.1
  • 6
    • 49249126398 scopus 로고    scopus 로고
    • NMAACR 1476-1122 10.1038/nmat2241
    • A. Selloni, Nature Mater. 7, 613 (2008). NMAACR 1476-1122 10.1038/nmat2241
    • (2008) Nature Mater. , vol.7 , pp. 613
    • Selloni, A.1
  • 7
    • 0000268786 scopus 로고    scopus 로고
    • JPCBFK 1520-6106 10.1021/jp982721e
    • J.B. Lowekamp, J. Phys. Chem. B 102, 7323 (1998). JPCBFK 1520-6106 10.1021/jp982721e
    • (1998) J. Phys. Chem. B , vol.102 , pp. 7323
    • Lowekamp, J.B.1
  • 8
    • 0036376739 scopus 로고    scopus 로고
    • 2 particles and their roles in photocatalytic reactions
    • DOI 10.1039/b202140d
    • T. Ohno, K. Sarukawa, and M. Matsumura, New J. Chem. NJCHE5 1144-0546 26, 1167 (2002). 10.1039/b202140d (Pubitemid 35034649)
    • (2002) New Journal of Chemistry , vol.26 , Issue.9 , pp. 1167-1170
    • Ohno, T.1    Sarukawa, K.2    Matsumura, M.3
  • 9
    • 55149098517 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.101.185501
    • X. Torrelles, Phys. Rev. Lett. 101, 185501 (2008). PRLTAO 0031-9007 10.1103/PhysRevLett.101.185501
    • (2008) Phys. Rev. Lett. , vol.101 , pp. 185501
    • Torrelles, X.1
  • 10
    • 58049189132 scopus 로고    scopus 로고
    • SUSCAS 0039-6028 10.1016/j.susc.2008.10.034
    • X.Q. Gong, Surf. Sci. 603, 138 (2009). SUSCAS 0039-6028 10.1016/j.susc.2008.10.034
    • (2009) Surf. Sci. , vol.603 , pp. 138
    • Gong, X.Q.1
  • 11
    • 79960640383 scopus 로고    scopus 로고
    • See supplemental material at
    • See supplemental material at http://link.aps.org/supplemental/10.1103/ PhysRevLett.106.166102 for computational details and a detailed view of the reconstruction pathway.
  • 12
    • 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
  • 13
    • 70349568754 scopus 로고    scopus 로고
    • JCOMEL 0953-8984 10.1088/0953-8984/21/39/395502
    • P. Giannozzi, J. Phys. Condens. Matter JCOMEL 0953-8984 21, 395502 (2009). 10.1088/0953-8984/21/39/395502
    • (2009) J. Phys. Condens. Matter , vol.21 , pp. 395502
    • Giannozzi, P.1
  • 14
    • 49449097052 scopus 로고    scopus 로고
    • SCIEAS 0036-8075 10.1126/science.1158722
    • A.J. Cohen, P. Mori-Sanchez, and W.T. Yang, Science 321, 792 (2008). SCIEAS 0036-8075 10.1126/science.1158722
    • (2008) Science , vol.321 , pp. 792
    • Cohen, A.J.1    Mori-Sanchez, P.2    Yang, W.T.3
  • 15
    • 54849426021 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.2996362
    • E. Finazzi, J. Chem. Phys. JCPSA6 0021-9606 129, 154113 (2008). 10.1063/1.2996362
    • (2008) J. Chem. Phys. , vol.129 , pp. 154113
    • Finazzi, E.1
  • 16
    • 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
  • 17
    • 67650738983 scopus 로고    scopus 로고
    • 1932-7447 10.1021/jp903017x
    • Y.B. He, J. Phys. Chem. C 113, 10329 (2009). 1932-7447 10.1021/jp903017x
    • (2009) J. Phys. Chem. C , vol.113 , pp. 10329
    • He, Y.B.1
  • 18
    • 24944574731 scopus 로고    scopus 로고
    • 2 and vacancy diffusion on rutile(110): Pathways and electronic properties
    • DOI 10.1002/cphc.200400570
    • A. Tilocca and A. Selloni, Chem. Phys. Chem. 6, 1911 (2005). CPCHFT 1439-4235 10.1002/cphc.200400570 (Pubitemid 41330018)
    • (2005) ChemPhysChem , vol.6 , Issue.9 , pp. 1911-1916
    • Tilocca, A.1    Selloni, A.2
  • 22
    • 36148992273 scopus 로고    scopus 로고
    • On the accuracy of density-functional theory exchange-correlation functionals for H bonds in small water clusters: Benchmarks approaching the complete basis set limit
    • DOI 10.1063/1.2790009
    • B. Santra, A. Michaelides, and M. Scheffler, J. Chem. Phys. JCPSA6 0021-9606 127, 184104 (2007). 10.1063/1.2790009 (Pubitemid 350115909)
    • (2007) Journal of Chemical Physics , vol.127 , Issue.18 , pp. 184104
    • Santra, B.1    Michaelides, A.2    Scheffler, M.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.