메뉴 건너뛰기




Volumn 120, Issue 10, 2016, Pages 5442-5456

Self-Sensitized Photocatalytic Degradation of Colorless Organic Pollutants Attached to Rutile Nanorods - Experimental and Theoretical DFT+D Studies

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER; CONDUCTION BANDS; DEGRADATION; ELECTRON TRANSITIONS; ENERGY GAP; LIGANDS; LIGHT; NANORODS; OXIDE MINERALS; PHENOLS; PHOTOCATALYSTS; POLLUTION; RATE CONSTANTS; SALICYLIC ACID; SCREENING; SPECTROELECTROCHEMISTRY; TITANIUM DIOXIDE;

EID: 84961730692     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/acs.jpcc.5b10983     Document Type: Article
Times cited : (53)

References (74)
  • 2
    • 84870949304 scopus 로고    scopus 로고
    • Highly Efficient and Selective Hydrogenation of Nitroaromatics on Photoactivated Rutile Titanium Dioxide
    • Shiraishi, Y.; Togawa, Y.; Tsukamoto, D.; Tanaka, S.; Hirai, T. Highly Efficient and Selective Hydrogenation of Nitroaromatics on Photoactivated Rutile Titanium Dioxide ACS Catal. 2012, 2, 2475-2481 10.1021/cs300500p
    • (2012) ACS Catal. , vol.2 , pp. 2475-2481
    • Shiraishi, Y.1    Togawa, Y.2    Tsukamoto, D.3    Tanaka, S.4    Hirai, T.5
  • 4
    • 67650486377 scopus 로고    scopus 로고
    • Correlation between Photocatalytic Activities and Structural and Physical Properties of Titanium(IV) Oxide Powders
    • Prieto-Mahaney, O.-O.; Murakami, N.; Abe, R.; Ohtani, B. Correlation between Photocatalytic Activities and Structural and Physical Properties of Titanium(IV) Oxide Powders Chem. Lett. 2009, 38, 238-239 10.1246/cl.2009.238
    • (2009) Chem. Lett. , vol.38 , pp. 238-239
    • Prieto-Mahaney, O.-O.1    Murakami, N.2    Abe, R.3    Ohtani, B.4
  • 5
    • 84903282574 scopus 로고    scopus 로고
    • Titanium Dioxide Nanomaterials for Photovoltaic Applications
    • Bai, Y.; Mora-Seró, I.; De Angelis, F.; Bisquert, J.; Wang, P. Titanium Dioxide Nanomaterials for Photovoltaic Applications Chem. Rev. 2014, 114, 10095-10130 10.1021/cr400606n
    • (2014) Chem. Rev. , vol.114 , pp. 10095-10130
    • Bai, Y.1    Mora-Seró, I.2    De Angelis, F.3    Bisquert, J.4    Wang, P.5
  • 10
    • 84863074610 scopus 로고    scopus 로고
    • Coupling Titania Nanotubes and Carbon Nanotubes to Create Photocatalytic Nanocomposites
    • Vijayan, B. K.; Dimitrijevic, N. M.; Finkelstein-Shapiro, D.; Wu, J.; Gray, K. A. Coupling Titania Nanotubes and Carbon Nanotubes to Create Photocatalytic Nanocomposites ACS Catal. 2012, 2, 223-229 10.1021/cs200541a
    • (2012) ACS Catal. , vol.2 , pp. 223-229
    • Vijayan, B.K.1    Dimitrijevic, N.M.2    Finkelstein-Shapiro, D.3    Wu, J.4    Gray, K.A.5
  • 12
    • 84865985539 scopus 로고    scopus 로고
    • Modeling with Hybrid Density Functional Theory the Electronic Band Alignment at the Zinc Oxide-Anatase Interface
    • Conesa, J. C. Modeling with Hybrid Density Functional Theory the Electronic Band Alignment at the Zinc Oxide-Anatase Interface J. Phys. Chem. C 2012, 116, 18884-18890 10.1021/jp306160c
    • (2012) J. Phys. Chem. C , vol.116 , pp. 18884-18890
    • Conesa, J.C.1
  • 14
    • 84883159260 scopus 로고    scopus 로고
    • Visible Light Driven Type II Heterostructures and Their Enhanced Photocatalysis Properties: A Review
    • Wang, Y.; Wang, Q.; Zhan, X.; Wang, F.; Safdar, M.; He, J. Visible Light Driven Type II Heterostructures and Their Enhanced Photocatalysis Properties: A Review Nanoscale 2013, 5, 8326-8339 10.1039/c3nr01577g
    • (2013) Nanoscale , vol.5 , pp. 8326-8339
    • Wang, Y.1    Wang, Q.2    Zhan, X.3    Wang, F.4    Safdar, M.5    He, J.6
  • 15
    • 84878687206 scopus 로고    scopus 로고
    • Quantum Dot Nanoscale Heterostructures for Solar Energy Conversion
    • Selinsky, R. S.; Ding, Q.; Faber, M. S.; Wright, J. C.; Jin, S. Quantum Dot Nanoscale Heterostructures for Solar Energy Conversion Chem. Soc. Rev. 2013, 42, 2963-2985 10.1039/C2CS35374A
    • (2013) Chem. Soc. Rev. , vol.42 , pp. 2963-2985
    • Selinsky, R.S.1    Ding, Q.2    Faber, M.S.3    Wright, J.C.4    Jin, S.5
  • 16
    • 27144444432 scopus 로고    scopus 로고
    • Colloidal Nanocrystal Synthesis and the Organic-Inorganic Interface
    • Yin, Y.; Alivisatos, A. P. Colloidal Nanocrystal Synthesis and the Organic-Inorganic Interface Nature 2005, 437, 664-670 10.1038/nature04165
    • (2005) Nature , vol.437 , pp. 664-670
    • Yin, Y.1    Alivisatos, A.P.2
  • 18
    • 84865133588 scopus 로고    scopus 로고
    • Surface Effects on Catechol/Semiconductor Interfaces
    • Calzolari, A.; Ruini, A.; Catellani, A. Surface Effects on Catechol/Semiconductor Interfaces J. Phys. Chem. C 2012, 116, 17158-17163 10.1021/jp307117h
    • (2012) J. Phys. Chem. C , vol.116 , pp. 17158-17163
    • Calzolari, A.1    Ruini, A.2    Catellani, A.3
  • 19
    • 15744389431 scopus 로고    scopus 로고
    • Visible-Light-Induced Photocatalytic Degradation of 4-Chlorophenol and Phenolic Compounds in Aqueous Suspension of Pure Titania: Demonstrating the Existence of a Surface-Complex-Mediated Path
    • Kim, S.; Choi, W. Visible-Light-Induced Photocatalytic Degradation of 4-Chlorophenol and Phenolic Compounds in Aqueous Suspension of Pure Titania: Demonstrating the Existence of a Surface-Complex-Mediated Path J. Phys. Chem. B 2005, 109, 5143-5149 10.1021/jp045806q
    • (2005) J. Phys. Chem. B , vol.109 , pp. 5143-5149
    • Kim, S.1    Choi, W.2
  • 20
    • 84904437292 scopus 로고    scopus 로고
    • 2 Nanocluster: Application to Photocatalytic Degradation under Visible Light Irradiation
    • 2 Nanocluster: Application to Photocatalytic Degradation under Visible Light Irradiation Beilstein J. Nanotechnol. 2014, 5, 1016-1030 10.3762/bjnano.5.115
    • (2014) Beilstein J. Nanotechnol. , vol.5 , pp. 1016-1030
    • Oprea, C.I.1    Panait, P.2    Gîrţu, M.A.3
  • 21
    • 0037452793 scopus 로고    scopus 로고
    • 2 under Sub-Band-Gap Illumination
    • 2 under Sub-Band-Gap Illumination Langmuir 2003, 19, 1402-1409 10.1021/la026397x
    • (2003) Langmuir , vol.19 , pp. 1402-1409
    • Agrios, A.G.1    Gray, K.A.2    Weitz, E.3
  • 25
    • 0024015872 scopus 로고
    • Adsorption and Decomposition of Aliphatic Alcohols on Titania
    • Kim, K.; Barteau, M.; Farneth, W. Adsorption and Decomposition of Aliphatic Alcohols on Titania Langmuir 1988, 4, 533-543 10.1021/la00081a007
    • (1988) Langmuir , vol.4 , pp. 533-543
    • Kim, K.1    Barteau, M.2    Farneth, W.3
  • 26
    • 0000905325 scopus 로고
    • Influence of Chemisorption on the Photodecomposition of Salicylic Acid and Related Compounds Using Suspended Titania Ceramic Membranes
    • Tunesi, S.; Anderson, M. Influence of Chemisorption on the Photodecomposition of Salicylic Acid and Related Compounds Using Suspended Titania Ceramic Membranes J. Phys. Chem. 1991, 95, 3399-3405 10.1021/j100161a078
    • (1991) J. Phys. Chem. , vol.95 , pp. 3399-3405
    • Tunesi, S.1    Anderson, M.2
  • 27
    • 0026372449 scopus 로고
    • Surface Complexation of Colloidal Semiconductors Strongly Enhances Interfacial Electron-Transfer Rates
    • Moser, J.; Punchihewa, S.; Infelta, P. P.; Graetzel, M. Surface Complexation of Colloidal Semiconductors Strongly Enhances Interfacial Electron-Transfer Rates Langmuir 1991, 7, 3012-3018 10.1021/la00060a018
    • (1991) Langmuir , vol.7 , pp. 3012-3018
    • Moser, J.1    Punchihewa, S.2    Infelta, P.P.3    Graetzel, M.4
  • 32
    • 84902381777 scopus 로고    scopus 로고
    • Modification of the Gallium-Doped Zinc Oxide Surface with Self-Assembled Monolayers of Phosphonic Acids: A Joint Theoretical and Experimental Study
    • Li, H.; Ratcliff, E. L.; Sigdel, A. K.; Giordano, A. J.; Marder, S. R.; Berry, J. J.; Brédas, J. L. Modification of the Gallium-Doped Zinc Oxide Surface with Self-Assembled Monolayers of Phosphonic Acids: A Joint Theoretical and Experimental Study Adv. Funct. Mater. 2014, 24, 3593-3603 10.1002/adfm.201303670
    • (2014) Adv. Funct. Mater. , vol.24 , pp. 3593-3603
    • Li, H.1    Ratcliff, E.L.2    Sigdel, A.K.3    Giordano, A.J.4    Marder, S.R.5    Berry, J.J.6    Brédas, J.L.7
  • 34
    • 84867834191 scopus 로고    scopus 로고
    • Supramolecular Ordering of Ptcda Molecules: The Key Role of Dispersion Forces in an Unusual Transition from Physisorbed into Chemisorbed State
    • Godlewski, S.; Tekiel, A.; Piskorz, W.; Zasada, F.; Prauzner-Bechcicki, J. S.; Sojka, Z.; Szymonski, M. Supramolecular Ordering of Ptcda Molecules: The Key Role of Dispersion Forces in an Unusual Transition from Physisorbed into Chemisorbed State ACS Nano 2012, 6, 8536-8545 10.1021/nn303546m
    • (2012) ACS Nano , vol.6 , pp. 8536-8545
    • Godlewski, S.1    Tekiel, A.2    Piskorz, W.3    Zasada, F.4    Prauzner-Bechcicki, J.S.5    Sojka, Z.6    Szymonski, M.7
  • 36
    • 79954460409 scopus 로고    scopus 로고
    • Anchor Group Versus Conjugation: Toward the Gap-State Engineering of Functionalized ZnO (1010) Surface for Optoelectronic Applications
    • Calzolari, A.; Ruini, A.; Catellani, A. Anchor Group Versus Conjugation: Toward the Gap-State Engineering of Functionalized ZnO (1010) Surface for Optoelectronic Applications J. Am. Chem. Soc. 2011, 133, 5893-5899 10.1021/ja1101008
    • (2011) J. Am. Chem. Soc. , vol.133 , pp. 5893-5899
    • Calzolari, A.1    Ruini, A.2    Catellani, A.3
  • 40
    • 50149093649 scopus 로고    scopus 로고
    • Ab-Initio Simulations of Materials Using Vasp: Density-Functional Theory and beyond
    • Hafner, J. Ab-Initio Simulations of Materials Using Vasp: Density-Functional Theory and Beyond J. Comput. Chem. 2008, 29, 2044-2078 10.1002/jcc.21057
    • (2008) J. Comput. Chem. , vol.29 , pp. 2044-2078
    • Hafner, J.1
  • 41
    • 0011236321 scopus 로고    scopus 로고
    • From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method
    • Kresse, G.; Joubert, D. From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method Phys. Rev. B: Condens. Matter Mater. Phys. 1999, 59, 1758 10.1103/PhysRevB.59.1758
    • (1999) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.59 , pp. 1758
    • Kresse, G.1    Joubert, D.2
  • 42
    • 33645898818 scopus 로고
    • Accurate and Simple Analytic Representation of the Electron-Gas Correlation Energy
    • Perdew, J. P.; Wang, Y. Accurate and Simple Analytic Representation of the Electron-Gas Correlation Energy Phys. Rev. B: Condens. Matter Mater. Phys. 1992, 45, 13244 10.1103/PhysRevB.45.13244
    • (1992) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.45 , pp. 13244
    • Perdew, J.P.1    Wang, Y.2
  • 43
    • 39349104189 scopus 로고    scopus 로고
    • 2 Surface with Hybrid Functionals and the Localized Basis Set Approach
    • 2 Surface with Hybrid Functionals and the Localized Basis Set Approach J. Chem. Phys. 2007, 127, 154705 10.1063/1.2790430
    • (2007) J. Chem. Phys. , vol.127 , pp. 154705
    • Di Valentin, C.1
  • 44
    • 34247401748 scopus 로고    scopus 로고
    • 2 Rutile and Anatase Polytypes: Performances of Different Exchange-Correlation Functionals
    • 2 Rutile and Anatase Polytypes: Performances of Different Exchange-Correlation Functionals J. Chem. Phys. 2007, 126, 154703 10.1063/1.2717168
    • (2007) J. Chem. Phys. , vol.126 , pp. 154703
    • Labat, F.1    Baranek, P.2    Domain, C.3    Minot, C.4    Adamo, C.5
  • 47
    • 4043164887 scopus 로고    scopus 로고
    • Accurate Description of Van der Waals Complexes by Density Functional Theory Including Empirical Corrections
    • Grimme, S. Accurate Description of Van Der Waals Complexes by Density Functional Theory Including Empirical Corrections J. Comput. Chem. 2004, 25, 1463-1473 10.1002/jcc.20078
    • (2004) J. Comput. Chem. , vol.25 , pp. 1463-1473
    • Grimme, S.1
  • 48
    • 1842816907 scopus 로고
    • Special Points for Brillouin-Zone Integrations
    • Monkhorst, H. J.; Pack, J. D. Special Points for Brillouin-Zone Integrations Phys. Rev. B 1976, 13, 5188 10.1103/PhysRevB.13.5188
    • (1976) Phys. Rev. B , vol.13 , pp. 5188
    • Monkhorst, H.J.1    Pack, J.D.2
  • 49
    • 0000720337 scopus 로고
    • High-Precision Sampling for Brillouin-Zone Integration in Metals
    • Methfessel, M.; Paxton, A. High-Precision Sampling for Brillouin-Zone Integration in Metals Phys. Rev. B: Condens. Matter Mater. Phys. 1989, 40, 3616 10.1103/PhysRevB.40.3616
    • (1989) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.40 , pp. 3616
    • Methfessel, M.1    Paxton, A.2
  • 50
    • 0000311055 scopus 로고
    • The Compressibility of Media under Extreme Pressures
    • Murnaghan, F. The Compressibility of Media under Extreme Pressures Proc. Natl. Acad. Sci. U. S. A. 1944, 30, 244-247 10.1073/pnas.30.9.244
    • (1944) Proc. Natl. Acad. Sci. U. S. A. , vol.30 , pp. 244-247
    • Murnaghan, F.1
  • 51
    • 0345401784 scopus 로고
    • A Quantum Theory of Molecular Structure and Its Applications
    • Bader, R. F. A Quantum Theory of Molecular Structure and Its Applications Chem. Rev. 1991, 91, 893-928 10.1021/cr00005a013
    • (1991) Chem. Rev. , vol.91 , pp. 893-928
    • Bader, R.F.1
  • 52
    • 0002945008 scopus 로고
    • Chemisorption on Metals
    • Muscat, J.; Newns, D. Chemisorption on Metals Prog. Surf. Sci. 1978, 9, 1-43 10.1016/0079-6816(78)90005-9
    • (1978) Prog. Surf. Sci. , vol.9 , pp. 1-43
    • Muscat, J.1    Newns, D.2
  • 53
    • 33750188208 scopus 로고    scopus 로고
    • Quantum Chemical Calculations of the Influence of Anchor-Cum-Spacer Groups on Femtosecond Electron Transfer Times in Dye-Sensitized Semiconductor Nanocrystals
    • Persson, P.; Lundqvist, M. J.; Ernstorfer, R.; Goddard, W.; Willig, F. Quantum Chemical Calculations of the Influence of Anchor-Cum-Spacer Groups on Femtosecond Electron Transfer Times in Dye-Sensitized Semiconductor Nanocrystals J. Chem. Theory Comput. 2006, 2, 441-451 10.1021/ct050141x
    • (2006) J. Chem. Theory Comput. , vol.2 , pp. 441-451
    • Persson, P.1    Lundqvist, M.J.2    Ernstorfer, R.3    Goddard, W.4    Willig, F.5
  • 55
    • 77957356491 scopus 로고    scopus 로고
    • Fityk: A General-Purpose Peak Fitting Program
    • Wojdyr, M. Fityk: A General-Purpose Peak Fitting Program J. Appl. Crystallogr. 2010, 43, 1126-1128 10.1107/S0021889810030499
    • (2010) J. Appl. Crystallogr. , vol.43 , pp. 1126-1128
    • Wojdyr, M.1
  • 56
    • 0028811888 scopus 로고
    • H in Rutile-Type Compounds: I. Single-Crystal Neutron and X-Ray Diffraction Study of H in Rutile
    • Swope, R. J.; Smyth, J. R.; Larson, A. C. H in Rutile-Type Compounds: I. Single-Crystal Neutron and X-Ray Diffraction Study of H in Rutile Am. Mineral. 1995, 80, 448-453
    • (1995) Am. Mineral. , vol.80 , pp. 448-453
    • Swope, R.J.1    Smyth, J.R.2    Larson, A.C.3
  • 58
    • 84872322389 scopus 로고    scopus 로고
    • Using Orbital Symmetry to Minimize Charge Recombination in Dye-Sensitized Solar Cells
    • Maggio, E.; Martsinovich, N.; Troisi, A. Using Orbital Symmetry to Minimize Charge Recombination in Dye-Sensitized Solar Cells Angew. Chem., Int. Ed. 2013, 52, 973-975 10.1002/anie.201205184
    • (2013) Angew. Chem., Int. Ed. , vol.52 , pp. 973-975
    • Maggio, E.1    Martsinovich, N.2    Troisi, A.3
  • 62
    • 0344236131 scopus 로고    scopus 로고
    • Photochemical Charge Transfer and Trapping at the Interface between an Organic Adlayer and an Oxide Semiconductor
    • Henderson, M. A.; White, J. M.; Uetsuka, H.; Onishi, H. Photochemical Charge Transfer and Trapping at the Interface between an Organic Adlayer and an Oxide Semiconductor J. Am. Chem. Soc. 2003, 125, 14974-14975 10.1021/ja037764+
    • (2003) J. Am. Chem. Soc. , vol.125 , pp. 14974-14975
    • Henderson, M.A.1    White, J.M.2    Uetsuka, H.3    Onishi, H.4
  • 64
    • 0000018793 scopus 로고
    • Optical Properties of Rutile near Its Fundamental Band Gap
    • Amtout, A.; Leonelli, R. Optical Properties of Rutile near Its Fundamental Band Gap Phys. Rev. B: Condens. Matter Mater. Phys. 1995, 51, 6842 10.1103/PhysRevB.51.6842
    • (1995) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.51 , pp. 6842
    • Amtout, A.1    Leonelli, R.2
  • 66
    • 77951810807 scopus 로고    scopus 로고
    • A Method to Rapidly Predict the Charge Injection Rate in Dye Sensitized Solar Cells
    • Jones, D. R.; Troisi, A. A Method to Rapidly Predict the Charge Injection Rate in Dye Sensitized Solar Cells Phys. Chem. Chem. Phys. 2010, 12, 4625-4634 10.1039/b926157e
    • (2010) Phys. Chem. Chem. Phys. , vol.12 , pp. 4625-4634
    • Jones, D.R.1    Troisi, A.2
  • 68
    • 83455203211 scopus 로고    scopus 로고
    • 2 Surfaces Sensitized by Organic Dyes with Different Anchoring Groups: Adsorption Modes, Electronic Structure and Implication for Electron Injection/Recombination
    • 2 Surfaces Sensitized by Organic Dyes with Different Anchoring Groups: Adsorption Modes, Electronic Structure and Implication for Electron Injection/Recombination Phys. Chem. Chem. Phys. 2012, 14, 920-928 10.1039/C1CP22663K
    • (2012) Phys. Chem. Chem. Phys. , vol.14 , pp. 920-928
    • Pastore, M.1    De Angelis, F.2
  • 69
    • 84866357302 scopus 로고    scopus 로고
    • 2 Crystallographic Surfaces Influence Charge Injection Rates from a Chemisorbed Dye Sensitiser
    • 2 Crystallographic Surfaces Influence Charge Injection Rates from a Chemisorbed Dye Sensitiser Phys. Chem. Chem. Phys. 2012, 14, 13392-13401 10.1039/c2cp42055d
    • (2012) Phys. Chem. Chem. Phys. , vol.14 , pp. 13392-13401
    • Martsinovich, N.1    Troisi, A.2
  • 71
    • 84905043401 scopus 로고    scopus 로고
    • UV and Visible Light Active Aqueous Titanium Dioxide Colloids Stabilized by Surfactants
    • Pacia, M.; Warszyński, P.; Macyk, W. UV and Visible Light Active Aqueous Titanium Dioxide Colloids Stabilized by Surfactants Dalton Trans. 2014, 43, 12480-12485 10.1039/C4DT00285G
    • (2014) Dalton Trans. , vol.43 , pp. 12480-12485
    • Pacia, M.1    Warszyński, P.2    Macyk, W.3
  • 72
    • 84880590788 scopus 로고    scopus 로고
    • Visible Light Photoactive Titanium Dioxide Aqueous Colloids and Coatings
    • Łabuz, P.; Sadowski, R.; Stochel, G.; Macyk, W. Visible Light Photoactive Titanium Dioxide Aqueous Colloids and Coatings Chem. Eng. J. 2013, 230, 188-194 10.1016/j.cej.2013.06.079
    • (2013) Chem. Eng. J. , vol.230 , pp. 188-194
    • Łabuz, P.1    Sadowski, R.2    Stochel, G.3    Macyk, W.4
  • 73
    • 84881401059 scopus 로고    scopus 로고
    • Redox Characterization of Semiconductors Based on Electrochemical Measurements Combined with UV-Vis Diffuse Reflectance Spectroscopy
    • ͆wietek, E.; Pilarczyk, K.; Derdzińska, J.; Szaciłowski, K.; Macyk, W. Redox Characterization of Semiconductors Based on Electrochemical Measurements Combined with UV-Vis Diffuse Reflectance Spectroscopy Phys. Chem. Chem. Phys. 2013, 15, 14256-14261 10.1039/c3cp52129j
    • (2013) Phys. Chem. Chem. Phys. , vol.15 , pp. 14256-14261
    • ͆wietek, E.1    Pilarczyk, K.2    Derdzińska, J.3    Szaciłowski, K.4    Macyk, W.5


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.