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Volumn 199, Issue , 2016, Pages 27-34

Water splitting and the band edge positions of TiO2

Author keywords

anatase; band alignment; rutile; water splitting; work function

Indexed keywords

OXIDE MINERALS; PHOTOELECTRON SPECTROSCOPY; REDOX REACTIONS; WORK FUNCTION;

EID: 84962271879     PISSN: 00134686     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.electacta.2016.03.122     Document Type: Article
Times cited : (75)

References (77)
  • 2
    • 35348875044 scopus 로고
    • Electrochemical photolysis of water at a semiconductor electrode
    • A. Fujishima, and K. Honda Electrochemical photolysis of water at a semiconductor electrode Nature 238 1972 37
    • (1972) Nature , vol.238 , pp. 37
    • Fujishima, A.1    Honda, K.2
  • 4
    • 84902151000 scopus 로고    scopus 로고
    • Revisiting the original works related to titania photocatalysis: A review of papers in the early stage of photocatalysis studies
    • B. Ohtani Revisiting the original works related to titania photocatalysis: a review of papers in the early stage of photocatalysis studies Electrochemistry 82 2014 414
    • (2014) Electrochemistry , vol.82 , pp. 414
    • Ohtani, B.1
  • 5
    • 0029882755 scopus 로고    scopus 로고
    • Electrochemical and photoelectrochemical investigation of single-crystal anatase
    • L. Kavan, M. Grätzel, S.E. Gilbert, C. Klemenz, and H.J. Scheel Electrochemical and photoelectrochemical investigation of single-crystal anatase J. Am. Chem. Soc. 118 1996 6716
    • (1996) J. Am. Chem. Soc. , vol.118 , pp. 6716
    • Kavan, L.1    Grätzel, M.2    Gilbert, S.E.3    Klemenz, C.4    Scheel, H.J.5
  • 7
    • 84858237189 scopus 로고    scopus 로고
    • 2-based nanomaterials
    • 2-based nanomaterials Adv. Phys. Chem. 2011 2011 786759
    • (2011) Adv. Phys. Chem. , vol.2011 , pp. 786759
    • Beranek, R.1
  • 8
    • 84856224412 scopus 로고    scopus 로고
    • A comparison of quantum-size anatase and rutile nanowire thin films: Devising differences in the electronic structure from photoelectrochemical measurements
    • M. Jankulovska, T. Berger, T.L. Villarreal, and R. Gomez A comparison of quantum-size anatase and rutile nanowire thin films: Devising differences in the electronic structure from photoelectrochemical measurements Electrochim. Acta 62 2012 172
    • (2012) Electrochim. Acta , vol.62 , pp. 172
    • Jankulovska, M.1    Berger, T.2    Villarreal, T.L.3    Gomez, R.4
  • 9
    • 84857049044 scopus 로고    scopus 로고
    • Electrochemistry of titanium dioxide: Some aspects and highlights
    • L. Kavan Electrochemistry of titanium dioxide: Some aspects and highlights Chem. Rec. 12 2012 131
    • (2012) Chem. Rec. , vol.12 , pp. 131
    • Kavan, L.1
  • 11
    • 19844378617 scopus 로고    scopus 로고
    • 2 nanoparticles: Influence of charge transfer between the nanoparticles on their photoluminescence excitation bands
    • 2 nanoparticles: Influence of charge transfer between the nanoparticles on their photoluminescence excitation bands Chem. Phys. Lett. 409 2005 81
    • (2005) Chem. Phys. Lett. , vol.409 , pp. 81
    • Nakajima, H.1    Mori, T.2    Shen, Q.3    Toyoda, T.4
  • 12
    • 2442715275 scopus 로고    scopus 로고
    • Charge separation at the rutile/anatase interface: A dominant factor of photocatalytic activity
    • T. Miyagi, M. Kamei, T. Mitsuhashi, T. Ishigaki, and A. Yamazaki Charge separation at the rutile/anatase interface: A dominant factor of photocatalytic activity Chem. Phys. Lett. 390 2004 399
    • (2004) Chem. Phys. Lett. , vol.390 , pp. 399
    • Miyagi, T.1    Kamei, M.2    Mitsuhashi, T.3    Ishigaki, T.4    Yamazaki, A.5
  • 19
    • 84938403308 scopus 로고    scopus 로고
    • Achieving overall water splitting using titanium dioxide-based photocatalysts of different phases
    • R. Li, Y. Weng, X. Zhou, X. Wang, Y. Mi, R. Chong, H. Han, and C. Li Achieving overall water splitting using titanium dioxide-based photocatalysts of different phases Energy Environ. Sci. 8 2015 2377
    • (2015) Energy Environ. Sci. , vol.8 , pp. 2377
    • Li, R.1    Weng, Y.2    Zhou, X.3    Wang, X.4    Mi, Y.5    Chong, R.6    Han, H.7    Li, C.8
  • 20
    • 79952020934 scopus 로고    scopus 로고
    • Band lineup and charge carrier separation in mixed rutile-anatase systems
    • P. Deák, B. Aradi, and T. Frauenheim Band lineup and charge carrier separation in mixed rutile-anatase systems J. Phys. Chem. C 115 2011 3443
    • (2011) J. Phys. Chem. C , vol.115 , pp. 3443
    • Deák, P.1    Aradi, B.2    Frauenheim, T.3
  • 22
    • 84942437055 scopus 로고    scopus 로고
    • Resolving the controversy about the band alignment between rutile and anatase: The role of OH-/H+ Adsorption
    • J. Kullgren, B. Aradi, T. Frauenheim, L. Kavan, and P. Deák Resolving the controversy about the band alignment between rutile and anatase: The role of OH-/H+ Adsorption J. Phys. Chem. C 119 2015 21952
    • (2015) J. Phys. Chem. C , vol.119 , pp. 21952
    • Kullgren, J.1    Aradi, B.2    Frauenheim, T.3    Kavan, L.4    Deák, P.5
  • 23
    • 0346672084 scopus 로고
    • The absolute electrode potential: An explanatory note (Recommendations 1986)
    • S. Trasatti The absolute electrode potential: An explanatory note (Recommendations 1986) J. Electroanal. Chem 209 1986 417
    • (1986) J. Electroanal. Chem , vol.209 , pp. 417
    • Trasatti, S.1
  • 25
    • 84937899433 scopus 로고    scopus 로고
    • 2: Similarities and differences between the Ti self-interstitial and the O vacancy in bulk rutile and anatase
    • 2: Similarities and differences between the Ti self-interstitial and the O vacancy in bulk rutile and anatase Phys. Rev. B 92 2015 045204
    • (2015) Phys. Rev. B , vol.92 , pp. 045204
    • Deák, P.1    Aradi, B.2    Frauenheim, T.3
  • 26
    • 57649159482 scopus 로고    scopus 로고
    • Heterogeneous photocatalyst materials for water splitting
    • A. Kudo, and Y. Miseki Heterogeneous photocatalyst materials for water splitting Chem. Soc. Rev. 38 2009 253
    • (2009) Chem. Soc. Rev. , vol.38 , pp. 253
    • Kudo, A.1    Miseki, Y.2
  • 31
  • 32
    • 79957496297 scopus 로고    scopus 로고
    • Highly active oxide photocathode for photoelectrochemical water reduction
    • A. Paracchino, V. Laporte, K. Sivula, M. Grätzel, and E. Thimsen Highly active oxide photocathode for photoelectrochemical water reduction Nat. Mater. 10 2011 456
    • (2011) Nat. Mater. , vol.10 , pp. 456
    • Paracchino, A.1    Laporte, V.2    Sivula, K.3    Grätzel, M.4    Thimsen, E.5
  • 42
    • 0037799714 scopus 로고    scopus 로고
    • Hybrid functionals based on a screened Coulomb potential
    • J. Heyd, G.E. Scuseria, and M. Ernzerhof Hybrid functionals based on a screened Coulomb potential J. Chem. Phys. 118 2003 8207
    • (2003) J. Chem. Phys. , vol.118 , pp. 8207
    • Heyd, J.1    Scuseria, G.E.2    Ernzerhof, M.3
  • 43
    • 33845518500 scopus 로고    scopus 로고
    • Influence of the exchange screening parameter on the performance of screened hybrid functionals
    • A.V. Krukau, O.A. Vydrov, A.F. Izmaylov, and G.E. Scuseria Influence of the exchange screening parameter on the performance of screened hybrid functionals J. Chem. Phys. 125 2006 224106
    • (2006) J. Chem. Phys. , vol.125 , pp. 224106
    • Krukau, A.V.1    Vydrov, O.A.2    Izmaylov, A.F.3    Scuseria, G.E.4
  • 44
    • 70349472607 scopus 로고    scopus 로고
    • Polaronic hole localization and multiple hole binding of acceptors in oxide wide-gap semiconductors
    • S. Lany, and A. Zunger Polaronic hole localization and multiple hole binding of acceptors in oxide wide-gap semiconductors Phys. Rev. B 80 2009 085202
    • (2009) Phys. Rev. B , vol.80 , pp. 085202
    • Lany, S.1    Zunger, A.2
  • 45
    • 79959405955 scopus 로고    scopus 로고
    • 2 calculated by the HSE06 hybrid functional: Dopant passivation by carrier self-trapping
    • 2 calculated by the HSE06 hybrid functional: Dopant passivation by carrier self-trapping Phys. Rev. B 83 2011 155207
    • (2011) Phys. Rev. B , vol.83 , pp. 155207
    • Deák, P.1    Aradi, B.2    Frauenheim, T.3
  • 50
    • 27744460065 scopus 로고
    • Amorphous-Semiconductor Transition in Germanium
    • G. Kresse, and J. Hafner Amorphous-Semiconductor Transition in Germanium Phys. Rev. B 49 1994 14251
    • (1994) Phys. Rev. B , vol.49 , pp. 14251
    • Kresse, G.1    Hafner, J.2
  • 51
    • 2442537377 scopus 로고    scopus 로고
    • Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
    • G. Kresse, and J. Furthmüller Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Phys. Rev. B 54 1996 011169
    • (1996) Phys. Rev. B , vol.54 , pp. 011169
    • Kresse, G.1    Furthmüller, J.2
  • 52
    • 0011236321 scopus 로고    scopus 로고
    • From ultrasoft pseudopotentials to the projector augmented-wave method
    • G. Kresse, and D. Joubert From ultrasoft pseudopotentials to the projector augmented-wave method Phys. Rev. B 59 1999 1758
    • (1999) Phys. Rev. B , vol.59 , pp. 1758
    • Kresse, G.1    Joubert, D.2
  • 53
    • 25744460922 scopus 로고
    • Projector augmented-wave method
    • P.E. Blöchl Projector augmented-wave method Phys. Rev. B 50 1994 17953
    • (1994) Phys. Rev. B , vol.50 , pp. 17953
    • Blöchl, P.E.1
  • 54
    • 79960645403 scopus 로고    scopus 로고
    • Van der Waals density functionals applied to solids
    • J. Klimeš, D.R. Bowler, and A. Michaelides Van der Waals density functionals applied to solids Phys. Rev. B 83 2011 95131
    • (2011) Phys. Rev. B , vol.83 , pp. 95131
    • Klimeš, J.1    Bowler, D.R.2    Michaelides, A.3
  • 55
    • 69449093005 scopus 로고    scopus 로고
    • Efficient implementation of a Van der Waals density functional: Application to double-wall carbon nanotubes
    • G. Román-Pérez, and J.M. Soler Efficient implementation of a Van der Waals density functional: application to double-wall carbon nanotubes Phys. Rev. Lett. 103 2009 096102
    • (2009) Phys. Rev. Lett. , vol.103 , pp. 096102
    • Román-Pérez, G.1    Soler, J.M.2
  • 58
    • 34447127776 scopus 로고    scopus 로고
    • DFTB+, a sparse matrix-based implementation of the DFTB method
    • B. Aradi, B. Hourahine, and T. Frauenheim DFTB+, a sparse matrix-based implementation of the DFTB method J. Phys. Chem. A 111 5678 2007
    • (2007) J. Phys. Chem. A , vol.111 , Issue.5678
    • Aradi, B.1    Hourahine, B.2    Frauenheim, T.3
  • 59
    • 0035932162 scopus 로고    scopus 로고
    • Hydrogen bonding and stacking interactions of nucleic acid base pairs: A density-functional-theory based treatment
    • M. Elstner, P. Hobza, T. Frauenheim, S. Suhai, and E. Kaxiras Hydrogen bonding and stacking interactions of nucleic acid base pairs: a density-functional-theory based treatment J. Chem. Phys. 114 2001 5149
    • (2001) J. Chem. Phys. , vol.114 , pp. 5149
    • Elstner, M.1    Hobza, P.2    Frauenheim, T.3    Suhai, S.4    Kaxiras, E.5
  • 60
    • 77950183357 scopus 로고    scopus 로고
    • An improved self-consistent-charge density-functional tight-binding (SCC-DFTB) set of parameters for simulation of bulk and molecular systems involving titanium
    • G. Dolgonos, B. Aradi, N.H. Moreira, and Th. Frauenheim An improved self-consistent-charge density-functional tight-binding (SCC-DFTB) set of parameters for simulation of bulk and molecular systems involving titanium J. Chem. Theory Comput. 6 2010 266
    • (2010) J. Chem. Theory Comput. , vol.6 , pp. 266
    • Dolgonos, G.1    Aradi, B.2    Moreira, N.H.3    Frauenheim, Th.4
  • 61
    • 1842816907 scopus 로고
    • Special Points for Brillouin-Zone Integrations
    • H.J. Monkhorst, and J.K. Pack Special Points for Brillouin-Zone Integrations Phys. Rev. B 13 1976 5188
    • (1976) Phys. Rev. B , vol.13 , pp. 5188
    • Monkhorst, H.J.1    Pack, J.K.2
  • 63
    • 84962267029 scopus 로고    scopus 로고
    • These correspond to 3a × 1c for A(101) and (√2a + 2c) ((√2a - 2c) for R(110)
    • These correspond to 3a × 1c for A(101) and (√2a + 2c) ((√2a - 2c) for R(110).
  • 70
    • 84934961233 scopus 로고    scopus 로고
    • Photoelectron spectroscopy study of stoichiometric and reduced anatase TiO2(101) surfaces: The effect of subsurface defects on water adsorption at near-ambient pressures
    • M.J. Jackman, A.G. Thomas, and C. Muryn Photoelectron spectroscopy study of stoichiometric and reduced anatase TiO2(101) surfaces: The effect of subsurface defects on water adsorption at near-ambient pressures J. Phys. Chem. C 119 2015 13682
    • (2015) J. Phys. Chem. C , vol.119 , pp. 13682
    • Jackman, M.J.1    Thomas, A.G.2    Muryn, C.3
  • 72
    • 0037468932 scopus 로고    scopus 로고
    • Investigation of the interaction of water and methanol with Anatase (101)
    • G.S. Herman, Z. Dohnalek, N. Ruzycki, and U. Diebold Investigation of the interaction of water and methanol with Anatase (101) J. Phys. Chem. B 107 2003 2788
    • (2003) J. Phys. Chem. B , vol.107 , pp. 2788
    • Herman, G.S.1    Dohnalek, Z.2    Ruzycki, N.3    Diebold, U.4
  • 74
    • 84962268689 scopus 로고    scopus 로고
    • -3) oxygen vacancies, even if annealed at 1000 (C in oxygen: P. Kofstad Non-Stoichiometry, Diffusion, and Electrical Conductivity in Binary Metal Oxides, (Wiley New York, 1972) Chap. 8
    • -3) oxygen vacancies, even if annealed at 1000 (C in oxygen: P. Kofstad, Non-Stoichiometry, Diffusion, and Electrical Conductivity in Binary Metal Oxides, (Wiley New York, 1972) Chap. 8.
  • 75
    • 84963674099 scopus 로고    scopus 로고
    • Photocatalytic water splitting for solar hydrogen generation: Fundamentals and recent advancements
    • L. Yuan, C. Han, M.Q. Yang, and Y.J. Xu Photocatalytic water splitting for solar hydrogen generation: fundamentals and recent advancements Int. Rev. Phys. Chem. 35 2016 1
    • (2016) Int. Rev. Phys. Chem. , vol.35 , pp. 1
    • Yuan, L.1    Han, C.2    Yang, M.Q.3    Xu, Y.J.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.