메뉴 건너뛰기




Volumn 15, Issue 10, 2016, Pages 1107-1112

Facet-dependent trapping and dynamics of excess electrons at anatase TiO2 surfaces and aqueous interfaces

Author keywords

[No Author keywords available]

Indexed keywords

CATALYSIS; ENERGY CONVERSION; INTERFACE STATES; PHASE INTERFACES; PHOTOCATALYSIS; SOLAR ENERGY; TITANIUM DIOXIDE;

EID: 84975229315     PISSN: 14761122     EISSN: 14764660     Source Type: Journal    
DOI: 10.1038/nmat4672     Document Type: Article
Times cited : (328)

References (51)
  • 1
    • 33751239787 scopus 로고    scopus 로고
    • Surface science studies of the photoactivation of tio2-new photochemical processes
    • Thompson, T. L. & Yates, J. T. Surface science studies of the photoactivation of TiO2-new photochemical processes. Chem. Rev. 106, 4428-4453 (2006).
    • (2006) Chem. Rev , vol.106 , pp. 4428-4453
    • Thompson, T.L.1    Yates, J.T.2
  • 2
    • 0037233037 scopus 로고    scopus 로고
    • The surface science of titanium dioxide
    • Diebold, U. The surface science of titanium dioxide. Surf. Sci. Rep. 48, 53-229 (2003).
    • (2003) Surf. Sci. Rep , vol.48 , pp. 53-229
    • Diebold, U.1
  • 3
    • 71049188446 scopus 로고    scopus 로고
    • Reduced and n-type doped tio2: Nature of ti3c species
    • Di Valentin, C., Pacchioni, G. & Selloni, A. Reduced and n-type doped TiO2: nature of Ti3C species. J. Phys. Chem. C 113, 20543-20552 (2009).
    • (2009) J. Phys. Chem. C , vol.113 , pp. 20543-20552
    • Di Valentin, C.1    Pacchioni, G.2    Selloni, A.3
  • 4
    • 79957932124 scopus 로고    scopus 로고
    • A surface science perspective on tio2 photocatalysis
    • Henderson, M. A. A surface science perspective on TiO2 photocatalysis. Surf. Sci. Rep. 66, 185-297 (2011).
    • (2011) Surf. Sci. Rep , vol.66 , pp. 185-297
    • Henderson, M.A.1
  • 5
    • 79960648157 scopus 로고    scopus 로고
    • Photocatalytic activity of bulk tio2 anatase and rutile single crystals using infrared absorption spectroscopy
    • Xu, M. et al. Photocatalytic activity of bulk TiO2 anatase and rutile single crystals using infrared absorption spectroscopy. Phys. Rev. Lett. 106, 138302 (2011).
    • (2011) Phys. Rev. Lett , vol.106 , pp. 138302
    • Xu, M.1
  • 6
    • 84906308780 scopus 로고    scopus 로고
    • Why is anatase a better photocatalyst than rutile?-model studies on epitaxial tio2 films
    • Luttrell, T. et al.Why is anatase a better photocatalyst than rutile?-Model studies on epitaxial TiO2 films. Sci. Rep. 4, 4043 (2014).
    • (2014) Sci. Rep , vol.4 , pp. 4043
    • Luttrell, T.1
  • 7
    • 0028368703 scopus 로고
    • Electrical and optical-properties of tio2 anatase thin-films
    • Tang, H., Prasad, K., Sanjines, R., Schmid, P. E. & Levy, F. Electrical and optical-properties of TIO2 anatase thin-films. J. Appl. Phys. 75, 2042-2047 (1994).
    • (1994) J. Appl. Phys , vol.75 , pp. 2042-2047
    • Tang, H.1    Prasad, K.2    Sanjines, R.3    Schmid, P.E.4    Levy, F.5
  • 8
    • 0035891138 scopus 로고    scopus 로고
    • Photoelectrochemical cells
    • Grätzel, M. Photoelectrochemical cells. Nature 414, 338-344 (2001).
    • (2001) Nature , vol.414 , pp. 338-344
    • Grätzel, M.1
  • 9
    • 33846709118 scopus 로고    scopus 로고
    • Characteristics of high efficiency dye-sensitized solar cells
    • Wang, Q. et al. Characteristics of high efficiency dye-sensitized solar cells. J. Phys. Chem. B 110, 25210-25221 (2006).
    • (2006) J. Phys. Chem. B , vol.110 , pp. 25210-25221
    • Wang, Q.1
  • 10
    • 33750149443 scopus 로고    scopus 로고
    • Electronic structure of defect states in hydroxylated and reduced rutile tio2 110) surfaces
    • Di Valentin, C., Pacchioni, G. & Selloni, A. Electronic structure of defect states in hydroxylated and reduced rutile TiO2(110) surfaces. Phys. Rev. Lett. 97, 166803 (2006).
    • (2006) Phys. Rev. Lett , vol.97 , pp. 166803
    • Di Valentin, C.1    Pacchioni, G.2    Selloni, A.3
  • 11
    • 33846439054 scopus 로고    scopus 로고
    • Comparison of the electronic structure of anatase and rutile tio2 single-crystal surfaces using resonant photoemission and x-ray absorption spectroscopy
    • Thomas, A. G. et al. Comparison of the electronic structure of anatase and rutile TiO2 single-crystal surfaces using resonant photoemission and X-ray absorption spectroscopy. Phys. Rev. B 75, 035105 (2007).
    • (2007) Phys. Rev. B , vol.75 , pp. 035105
    • Thomas, A.G.1
  • 12
    • 77950581222 scopus 로고    scopus 로고
    • Defining the role of excess electrons in the surface chemistry of tio2
    • Deskins, N. A., Rousseau, R. & Dupuis, M. Defining the role of excess electrons in the surface chemistry of TiO2. J. Phys. Chem. C 114, 5891-5897 (2010).
    • (2010) J. Phys. Chem. C , vol.114 , pp. 5891-5897
    • Deskins, N.A.1    Rousseau, R.2    Dupuis, M.3
  • 13
    • 79954609259 scopus 로고    scopus 로고
    • Distribution of ti3c surface sites in reduced tio2
    • Deskins, N. A., Rousseau, R. & Dupuis, M. Distribution of Ti3C surface sites in reduced TiO2. J. Phys. Chem. C 115, 7562-7572 (2011).
    • (2011) J. Phys. Chem. C , vol.115 , pp. 7562-7572
    • Deskins, N.A.1    Rousseau, R.2    Dupuis, M.3
  • 14
    • 84255204825 scopus 로고    scopus 로고
    • On the nature of reduced states in titanium dioxide as monitored by electron paramagnetic resonance. I: The anatase case
    • Livraghi, S., Chiesa, M., Paganini, M. C. & Giamello, E. On the nature of reduced states in titanium dioxide as monitored by electron paramagnetic resonance. I: the anatase case. J. Phys. Chem. C 115, 25413-25421 (2011).
    • (2011) J. Phys. Chem. C , vol.115 , pp. 25413-25421
    • Livraghi, S.1    Chiesa, M.2    Paganini, M.C.3    Giamello, E.4
  • 15
    • 84866265453 scopus 로고    scopus 로고
    • Pressure dependence of the large-polaron transport in anatase tio2 single crystals
    • Jacimovic, J. et al. Pressure dependence of the large-polaron transport in anatase TiO2 single crystals. Europhys. Lett. 99, 57005 (2012).
    • (2012) Europhys. Lett , vol.99 , pp. 57005
    • Jacimovic, J.1
  • 16
    • 84877359093 scopus 로고    scopus 로고
    • Tunable polaronic conduction in anatase tio2
    • Moser, S. et al. Tunable polaronic conduction in anatase TiO2. Phys. Rev. Lett. 110, 196403 (2013).
    • (2013) Phys. Rev. Lett , vol.110 , pp. 196403
    • Moser, S.1
  • 17
    • 84907312809 scopus 로고    scopus 로고
    • Direct view at excess electrons in tio2 rutile and anatase
    • Setvin, M. et al. Direct view at excess electrons in TiO2 rutile and anatase. Phys. Rev. Lett. 113, 086402 (2014).
    • (2014) Phys. Rev. Lett , vol.113 , pp. 086402
    • Setvin, M.1
  • 18
    • 84899496308 scopus 로고    scopus 로고
    • Charge trapping at the step edges of tio2 anatase 101
    • Setvin, M. et al. Charge trapping at the step edges of TiO2 anatase (101). Angew. Chem. Int. Ed. 53, 4714-4716 (2014).
    • (2014) Angew. Chem. Int. Ed , vol.53 , pp. 4714-4716
    • Setvin, M.1
  • 19
    • 63649103050 scopus 로고    scopus 로고
    • Evidence for the predominance of subsurface defects on reduced anatase tio2 101)
    • He, Y., Dulub, O., Cheng, H., Selloni, A. & Diebold, U. Evidence for the predominance of subsurface defects on reduced anatase TiO2(101). Phys. Rev. Lett. 102, 106105 (2009).
    • (2009) Phys. Rev. Lett , vol.102 , pp. 106105
    • He, Y.1    Dulub, O.2    Cheng, H.3    Selloni, A.4    Diebold, U.5
  • 20
    • 0036376739 scopus 로고    scopus 로고
    • Crystal faces of rutile and anatase tio2 particles and their roles in photocatalytic reactions
    • Ohno, T., Sarukawa, K. & Matsumura, M. Crystal faces of rutile and anatase TiO2 particles and their roles in photocatalytic reactions. New J. Chem. 26, 1167-1170 (2002).
    • (2002) New J. Chem , vol.26 , pp. 1167-1170
    • Ohno, T.1    Sarukawa, K.2    Matsumura, M.3
  • 21
    • 79955691855 scopus 로고    scopus 로고
    • Evidence for crystal-face-dependent tio2 photocatalysis from single-molecule imaging and kinetic analysis
    • Tachikawa, T., Yamashita, S. & Majima, T. Evidence for crystal-face-dependent TiO2 photocatalysis from single-molecule imaging and kinetic analysis. J. Am. Chem. Soc. 133, 7197-7204 (2011).
    • (2011) J. Am. Chem. Soc , vol.133 , pp. 7197-7204
    • Tachikawa, T.1    Yamashita, S.2    Majima, T.3
  • 22
    • 84903289002 scopus 로고    scopus 로고
    • Enhanced photocatalytic co2-reduction activity of anatase tio2 by coexposed f001g and f101g facets
    • Yu, J., Low, J., Xiao, W., Zhou, P. & Jaroniec, M. Enhanced photocatalytic CO2-reduction activity of anatase TiO2 by coexposed f001g and f101g facets. J. Am. Chem. Soc. 136, 8839-8842 (2014).
    • (2014) J. Am. Chem. Soc , vol.136 , pp. 8839-8842
    • Yu, J.1    Low, J.2    Xiao, W.3    Zhou, P.4    Jaroniec, M.5
  • 23
    • 84908179380 scopus 로고    scopus 로고
    • Theoretical studies on anatase and less common tio2 phases: Bulk, surfaces, and nanomaterials
    • De Angelis, F., Di Valentin, C., Fantacci, S., Vittadini, A. & Selloni, A. Theoretical studies on anatase and less common TiO2 phases: bulk, surfaces, and nanomaterials. Chem. Rev. 114, 9708-9753 (2014).
    • (2014) Chem. Rev , vol.114 , pp. 9708-9753
    • De Angelis, F.1    Di Valentin, C.2    Fantacci, S.3    Vittadini, A.4    Selloni, A.5
  • 24
    • 0034293780 scopus 로고    scopus 로고
    • Infrared spectra of photoinduced species on hydroxylated titania surfaces
    • Szczepankiewicz, S. H., Colussi, A. J. & Hoffmann, M. R. Infrared spectra of photoinduced species on hydroxylated titania surfaces. J. Phys. Chem. B 104, 9842-9850 (2000).
    • (2000) J. Phys. Chem. B , vol.104 , pp. 9842-9850
    • Szczepankiewicz, S.H.1    Colussi, A.J.2    Hoffmann, M.R.3
  • 25
    • 84870391688 scopus 로고    scopus 로고
    • Kinetics and mechanisms of charge transfer processes in photocatalytic systems: A review
    • Zhang, L., Mohamed, H. H., Dillert, R. & Bahnemann, D. Kinetics and mechanisms of charge transfer processes in photocatalytic systems: a review. J. Photochem. Photobiol. C 13, 263-276 (2012).
    • (2012) J. Photochem. Photobiol. C , vol.13 , pp. 263-276
    • Zhang, L.1    Mohamed, H.H.2    Dillert, R.3    Bahnemann, D.4
  • 26
    • 77957557965 scopus 로고    scopus 로고
    • Charge localization dynamics induced by oxygen vacancies on the tio2 110) surface
    • Kowalski, P. M., Camellone, M. F., Nair, N. N., Meyer, B. & Marx, D. Charge localization dynamics induced by oxygen vacancies on the TiO2(110) surface. Phys. Rev. Lett. 105, 146405 (2010).
    • (2010) Phys. Rev. Lett , vol.105 , pp. 146405
    • Kowalski, P.M.1    Camellone, M.F.2    Nair, N.N.3    Meyer, B.4    Marx, D.5
  • 27
    • 0001437693 scopus 로고
    • Band theory and mott insulators: Hubbard u instead of stoner i
    • Anisimov, V. I., Zaanen, J. & Andersen, O. K. Band theory and Mott insulators: Hubbard U instead of Stoner I. Phys. Rev. B 44, 943-954 (1991).
    • (1991) Phys. Rev. B , vol.44 , pp. 943-954
    • Anisimov, V.I.1    Zaanen, J.2    Andersen, O.K.3
  • 28
    • 4243606192 scopus 로고
    • Unified approach for molecular dynamics and density-functional theory
    • Car, R. & Parrinello, M. Unified approach for molecular dynamics and density-functional theory. Phys. Rev. Lett. 55, 2471-2474 (1985).
    • (1985) Phys. Rev. Lett , vol.55 , pp. 2471-2474
    • Car, R.1    Parrinello, M.2
  • 29
    • 15444366598 scopus 로고    scopus 로고
    • Linear response approach to the calculation of the effective interaction parameters in the ldacu method
    • Cococcioni, M. & de Gironcoli, S. Linear response approach to the calculation of the effective interaction parameters in the LDACU method. Phys. Rev. B 71, 035105 (2005).
    • (2005) Phys. Rev. B , vol.71 , pp. 035105
    • Cococcioni, M.1    De Gironcoli, S.2
  • 30
    • 4944230287 scopus 로고    scopus 로고
    • Towards an assessment of the accuracy of density functional theory for first principles simulations of water. II
    • Schwegler, E., Grossman, J. C., Gygi, F. & Galli, G. Towards an assessment of the accuracy of density functional theory for first principles simulations of water. II. J. Chem. Phys. 121, 5400-5409 (2004).
    • (2004) J. Chem. Phys , vol.121 , pp. 5400-5409
    • Schwegler, E.1    Grossman, J.C.2    Gygi, F.3    Galli, G.4
  • 31
    • 84860383284 scopus 로고    scopus 로고
    • DFT-gga and dftcu simulations of thin water layers on reduced tio2 anatase
    • Tilocca, A. & Selloni, A. DFT-GGA and DFTCU simulations of thin water layers on reduced TiO2 anatase. J. Phys. Chem. C 116, 9114-9121 (2012).
    • (2012) J. Phys. Chem. C , vol.116 , pp. 9114-9121
    • Tilocca, A.1    Selloni, A.2
  • 32
    • 84959300045 scopus 로고    scopus 로고
    • The acid-base and redox reactivity of ceo2 nanoparticles: Influence of the hubbard u term in DFT c u studies
    • Boronat, M., López-Ausens, T. & Corma, A. The acid-base and redox reactivity of CeO2 nanoparticles: influence of the Hubbard U term in DFT C U studies. Surf. Sci. 648, 212-219 (2016).
    • (2016) Surf. Sci , vol.648 , pp. 212-219
    • Boronat, M.1    López-Ausens, T.2    Corma, A.3
  • 33
    • 75249101628 scopus 로고    scopus 로고
    • Influence of subsurface defects on the surface reactivity of tio2: Water on anatase 101)
    • Aschauer, U. et al. Influence of subsurface defects on the surface reactivity of TiO2: water on anatase (101). J. Phys. Chem. C 114, 1278-1284 (2010).
    • (2010) J. Phys. Chem. C , vol.114 , pp. 1278-1284
    • Aschauer, U.1
  • 34
    • 0001754477 scopus 로고
    • Reaction of the hydrated electron with water
    • Schwarz, H. A. Reaction of the hydrated electron with water. J. Phys. Chem. 96, 8937-8941 (1992).
    • (1992) J. Phys. Chem , vol.96 , pp. 8937-8941
    • Schwarz, H.A.1
  • 35
    • 33751227844 scopus 로고    scopus 로고
    • Solvated electrons on metal oxide surfaces
    • Zhao, J., Li, B., Onda, K., Feng, M. & Petek, H. Solvated electrons on metal oxide surfaces. Chem. Rev. 106, 4402-4427 (2006).
    • (2006) Chem. Rev , vol.106 , pp. 4402-4427
    • Zhao, J.1    Li, B.2    Onda, K.3    Feng, M.4    Petek, H.5
  • 36
    • 85090756288 scopus 로고    scopus 로고
    • Water radiolysis: Influence of oxide surfaces on h2 production under ionizing radiation
    • Le Caer, S.Water radiolysis: influence of oxide surfaces on H2 production under ionizing radiation.Water 3, 235-253 (2011).
    • (2011) Water , vol.3 , pp. 235-253
    • Le Caer, S.1
  • 37
    • 3042770463 scopus 로고    scopus 로고
    • Direct observation of competitive adsorption between methanol and water on tio2: An in situ sum-frequency generation study
    • Wang, C.-Y., Groenzin, H. & Shultz, M. J. Direct observation of competitive adsorption between methanol and water on TiO2: an in Situ sum-frequency generation study. J. Am. Chem. Soc. 126, 8094-8095 (2004).
    • (2004) J. Am. Chem. Soc , vol.126 , pp. 8094-8095
    • Wang, C.-Y.1    Groenzin, H.2    Shultz, M.J.3
  • 38
    • 67649482355 scopus 로고    scopus 로고
    • Local ordering and electronic signatures of submonolayer water on anatase tio2 101)
    • He, Y. B., Tilocca, A., Dulub, O., Selloni, A. & Diebold, U. Local ordering and electronic signatures of submonolayer water on anatase TiO2(101). Nature Mater. 8, 585-589 (2009).
    • (2009) Nature Mater , vol.8 , pp. 585-589
    • He, Y.B.1    Tilocca, A.2    Dulub, O.3    Selloni, A.4    Diebold, U.5
  • 39
    • 0000228222 scopus 로고    scopus 로고
    • Structure determination of the two-domain 1-4) anatase tio2 001) surface
    • Herman, G. S., Sievers, M. R. & Gao, Y. Structure determination of the two-domain (1-4) anatase TiO2(001) surface. Phys. Rev. Lett. 84, 3354-3357 (2000).
    • (2000) Phys. Rev. Lett , vol.84 , pp. 3354-3357
    • Herman, G.S.1    Sievers, M.R.2    Gao, Y.3
  • 40
    • 0035945223 scopus 로고    scopus 로고
    • Stress-driven reconstruction of an oxide surface the anatase tio2 001)-1-4) surface
    • Lazzeri, M. & Selloni, A. Stress-driven reconstruction of an oxide surface. The anatase TiO2(001)-(1-4) surface. Phys. Rev. Lett. 87, 266105 (2001).
    • (2001) Phys. Rev. Lett , vol.87 , pp. 266105
    • Lazzeri, M.1    Selloni, A.2
  • 41
    • 84871818819 scopus 로고    scopus 로고
    • Incorporation of nonmetal impurities at the anatase tio2 001)-1-4) surface
    • Lee, J. H., Fernandez Hevia, D. & Selloni, A. Incorporation of nonmetal impurities at the anatase TiO2(001)-(1-4) surface. Phys. Rev. Lett. 110, 016101 (2013).
    • (2013) Phys. Rev. Lett , vol.110 , pp. 016101
    • Lee, J.H.1    Fernandez Hevia, D.2    Selloni, A.3
  • 42
    • 0001933023 scopus 로고    scopus 로고
    • Bridging the pressure and materials gaps between catalysis and surface science: Clean and modified oxide surfaces
    • Freund, H. J. et al. Bridging the pressure and materials gaps between catalysis and surface science: clean and modified oxide surfaces. Top. Catal. 15, 201-209 (2001).
    • (2001) Top. Catal , vol.15 , pp. 201-209
    • Freund, H.J.1
  • 43
    • 84884172353 scopus 로고    scopus 로고
    • Theoretical investigation of the activity of cobalt oxides for the electrochemical oxidation of water
    • Bajdich, M., Garcia-Mota, M., Vojvodic, A., Norskov, J. K. & Bell, A. T. Theoretical investigation of the activity of cobalt oxides for the electrochemical oxidation of water. J. Am. Chem. Soc. 135, 13521-13530 (2013).
    • (2013) J. Am. Chem. Soc , vol.135 , pp. 13521-13530
    • Bajdich, M.1    Garcia-Mota, M.2    Vojvodic, A.3    Norskov, J.K.4    Bell, A.T.5
  • 44
    • 79960621759 scopus 로고    scopus 로고
    • Structure of the rutile tio2 011) surface in an aqueous environment
    • Aschauer, U. & Selloni, A. Structure of the Rutile TiO2(011) surface in an aqueous environment. Phys. Rev. Lett. 106, 166102 (2011).
    • (2011) Phys. Rev. Lett , vol.106 , pp. 166102
    • Aschauer, U.1    Selloni, A.2
  • 45
    • 84875671465 scopus 로고    scopus 로고
    • Synergy of low-energy f101g and high-energy f001g tio2 crystal facets for enhanced photocatalysis
    • Roy, N., Sohn, Y. & Pradhan, D. Synergy of low-energy f101g and high-energy f001g TiO2 crystal facets for enhanced photocatalysis. ACS Nano 7, 2532-2540 (2013).
    • (2013) ACS Nano , vol.7 , pp. 2532-2540
    • Roy, N.1    Sohn, Y.2    Pradhan, D.3
  • 46
    • 70349568754 scopus 로고    scopus 로고
    • Quantum espresso: A modular and open-source software project for quantum simulations of materials
    • Giannozzi, P. et al. QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials. J. Phys. Condens. Matter 21, 395502 (2009).
    • (2009) J. Phys. Condens. Matter , vol.21 , pp. 395502
    • Giannozzi, P.1
  • 47
    • 4243943295 scopus 로고    scopus 로고
    • Generalized gradient approximation made simple
    • Perdew, J. P., Burke, K. & Ernzerhof, M. Generalized gradient approximation made simple. Phys. Rev. Lett. 77, 3865 (1996).
    • (1996) Phys. Rev. Lett , vol.77 , pp. 3865
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 48
    • 0001486791 scopus 로고    scopus 로고
    • Electron-energy-loss spectra and the structural stability of nickel oxide: An lsdacu study
    • Dudarev, S. L., Botton, G. A., Savrasov, S. Y., Humphreys, C. J. & Sutton, A. P. Electron-energy-loss spectra and the structural stability of nickel oxide: an LSDACU study. Phys. Rev. B 57, 1505-1509 (1998).
    • (1998) Phys. Rev. B , vol.57 , pp. 1505-1509
    • Dudarev, S.L.1    Botton, G.A.2    Savrasov, S.Y.3    Humphreys, C.J.4    Sutton, A.P.5
  • 49
    • 20544463457 scopus 로고
    • Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
    • Vanderbilt, D. Soft self-consistent pseudopotentials in a generalized eigenvalue formalism. Phys. Rev. B 41, 7892-7895 (1990).
    • (1990) Phys. Rev. B , vol.41 , pp. 7892-7895
    • Vanderbilt, D.1
  • 51
    • 84962376543 scopus 로고    scopus 로고
    • First-principles calculations of charged surfaces and interfaces: A plane-wave nonrepeated slab approach
    • Otani, M. & Sugino, O. First-principles calculations of charged surfaces and interfaces: a plane-wave nonrepeated slab approach. Phys. Rev. B 73, 115407 (2006).
    • (2006) Phys. Rev. B , vol.73 , pp. 115407
    • Otani, M.1    Sugino, O.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.