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Volumn 8, Issue 16, 2016, Pages 10315-10323

A First-Principle Study of Synergized O2 Activation and CO Oxidation by Ag Nanoparticles on TiO2(101) Support

Author keywords

CO oxidation; first principle study; O2 activation; polarized charge; synergistic effect

Indexed keywords

ATOMS; CARBON DIOXIDE; CATALYST ACTIVITY; CHEMICAL ACTIVATION; DENSITY FUNCTIONAL THEORY; DISSOCIATION; OXIDATION; TITANIUM DIOXIDE;

EID: 84966356706     PISSN: 19448244     EISSN: 19448252     Source Type: Journal    
DOI: 10.1021/acsami.6b01369     Document Type: Article
Times cited : (37)

References (54)
  • 3
    • 84904565260 scopus 로고    scopus 로고
    • 2 Catalysts for Preferential Oxidation of CO in Hydrogen-Rich Stream: Effects of Calcination Temperature
    • 2 Catalysts for Preferential Oxidation of CO in Hydrogen-Rich Stream: Effects of Calcination Temperature J. Phys. Chem. C 2014, 118, 15226-15233 10.1021/jp500102g
    • (2014) J. Phys. Chem. C , vol.118 , pp. 15226-15233
    • Sasirekha, N.1    Sangeetha, P.2    Chen, Y.W.3
  • 5
    • 84857412818 scopus 로고    scopus 로고
    • 2 Reduction State on the Catalytic CO Oxidation on Deposited Size-Selected Pt Clusters
    • 2 Reduction State on the Catalytic CO Oxidation on Deposited Size-Selected Pt Clusters J. Am. Chem. Soc. 2012, 134, 3445-3450 10.1021/ja2098854
    • (2012) J. Am. Chem. Soc. , vol.134 , pp. 3445-3450
    • Bonanni, S.1    Aït-Mansour, K.2    Harbich, W.3    Brune, H.4
  • 11
    • 84957599261 scopus 로고    scopus 로고
    • 2 Photocatalyst: Thiocyanate as a Selective Modifier
    • 2 Photocatalyst: Thiocyanate as a Selective Modifier ACS Catal. 2016, 6, 821-828 10.1021/acscatal.5b02376
    • (2016) ACS Catal. , vol.6 , pp. 821-828
    • Choi, Y.1    Kim, H.2    Moon, G.3    Jo, S.4    Choi, W.5
  • 12
    • 78650851943 scopus 로고    scopus 로고
    • Plasmonic Enhancement of Photocatalytic Decomposition of Methyl Orange under Visible Light
    • Hou, W.; Liu, Z.; Pavaskar, P.; Hung, W. H.; Cronin, S. B. Plasmonic Enhancement of Photocatalytic Decomposition of Methyl Orange under Visible Light J. Catal. 2011, 277, 149-153 10.1016/j.jcat.2010.11.001
    • (2011) J. Catal. , vol.277 , pp. 149-153
    • Hou, W.1    Liu, Z.2    Pavaskar, P.3    Hung, W.H.4    Cronin, S.B.5
  • 13
    • 33646172312 scopus 로고    scopus 로고
    • Relation between Nanoscale Au Particle Structure and Activity for CO Oxidation on Supported Gold Catalysts
    • Janssens, T. V. W.; Carlsson, A.; Puig-Molina, A.; Clausen, B. S. Relation between Nanoscale Au Particle Structure and Activity for CO Oxidation on Supported Gold Catalysts J. Catal. 2006, 240, 108-113 10.1016/j.jcat.2006.03.008
    • (2006) J. Catal. , vol.240 , pp. 108-113
    • Janssens, T.V.W.1    Carlsson, A.2    Puig-Molina, A.3    Clausen, B.S.4
  • 14
    • 0037065325 scopus 로고    scopus 로고
    • Catalytic Role of Gold in Gold-Based Catalysts: A Density Functional Theory Study on the CO Oxidation on Gold
    • Liu, Z. P.; Hu, P.; Alavi, A. Catalytic Role of Gold in Gold-Based Catalysts: A Density Functional Theory Study on the CO Oxidation on Gold J. Am. Chem. Soc. 2002, 124, 14770-14779 10.1021/ja0205885
    • (2002) J. Am. Chem. Soc. , vol.124 , pp. 14770-14779
    • Liu, Z.P.1    Hu, P.2    Alavi, A.3
  • 16
    • 84866142326 scopus 로고    scopus 로고
    • Exploring Computational Design of Size-Specific Subnanometer Clusters Catalysts
    • Ferguson, G. A.; Mehmood, F.; Rankin, R. B.; Greeley, J. P.; Vajda, S.; Curtiss, L. A. Exploring Computational Design of Size-Specific Subnanometer Clusters Catalysts Top. Catal. 2012, 55, 353-365 10.1007/s11244-012-9804-4
    • (2012) Top. Catal. , vol.55 , pp. 353-365
    • Ferguson, G.A.1    Mehmood, F.2    Rankin, R.B.3    Greeley, J.P.4    Vajda, S.5    Curtiss, L.A.6
  • 17
    • 84921817342 scopus 로고    scopus 로고
    • 2 Hollow Structure for Efficient Light-Harvesting in Dye-Sensitized Solar Cells
    • 2 Hollow Structure for Efficient Light-Harvesting in Dye-Sensitized Solar Cells ACS Appl. Mater. Interfaces 2015, 7, 2055-2063 10.1021/am508065n
    • (2015) ACS Appl. Mater. Interfaces , vol.7 , pp. 2055-2063
    • Yun, J.1    Hwang, S.H.2    Jang, J.3
  • 18
    • 84889238816 scopus 로고    scopus 로고
    • 2 Composite Nanorod Arrays Fabricated by Oblique Angle Deposition: Toward Plasmonic Photocatalysis
    • 2 Composite Nanorod Arrays Fabricated by Oblique Angle Deposition: Toward Plasmonic Photocatalysis ACS Appl. Mater. Interfaces 2013, 5, 11818-11827 10.1021/am4035015
    • (2013) ACS Appl. Mater. Interfaces , vol.5 , pp. 11818-11827
    • He, Y.1    Basnet, P.2    Murph, S.E.H.3    Zhao, Y.4
  • 19
    • 33745728221 scopus 로고    scopus 로고
    • CO Adsorption on Ag(100) and Ag/MgO(100)
    • Qin, C.; Sremaniak, L. S.; Whitten, J. L. CO Adsorption on Ag(100) and Ag/MgO(100) J. Phys. Chem. B 2006, 110, 11272-11276 10.1021/jp0575207
    • (2006) J. Phys. Chem. B , vol.110 , pp. 11272-11276
    • Qin, C.1    Sremaniak, L.S.2    Whitten, J.L.3
  • 22
    • 84924235831 scopus 로고    scopus 로고
    • 2: Highly Efficient Catalysts for Methane Combustion
    • 2: Highly Efficient Catalysts for Methane Combustion ACS Catal. 2015, 5, 1781-1793 10.1021/cs501773h
    • (2015) ACS Catal. , vol.5 , pp. 1781-1793
    • Arandiyan, H.1    Dai, H.2    Ji, K.3    Sun, H.4    Li, J.5
  • 27
    • 82055161674 scopus 로고    scopus 로고
    • Plasmonic-Metal Nanostructures for Efficient Conversion of Solar to Chemical Energy
    • Linic, S.; Christopher, P.; Ingram, D. B. Plasmonic-Metal Nanostructures for Efficient Conversion of Solar to Chemical Energy Nat. Mater. 2011, 10, 911-921 10.1038/nmat3151
    • (2011) Nat. Mater. , vol.10 , pp. 911-921
    • Linic, S.1    Christopher, P.2    Ingram, D.B.3
  • 30
    • 15744376046 scopus 로고    scopus 로고
    • 2 Core-Shell Composite Clusters under UV-Irradiation
    • 2 Core-Shell Composite Clusters under UV-Irradiation J. Am. Chem. Soc. 2005, 127, 3928-3934 10.1021/ja042925a
    • (2005) J. Am. Chem. Soc. , vol.127 , pp. 3928-3934
    • Hirakawa, T.1    Kamat, P.V.2
  • 34
    • 84906810079 scopus 로고    scopus 로고
    • 2 Microspheres with Enhanced Photocatalysis Performance under Visible-Light Irradiation
    • 2 Microspheres with Enhanced Photocatalysis Performance under Visible-Light Irradiation ACS Appl. Mater. Interfaces 2014, 6, 14405-14414 10.1021/am503674e
    • (2014) ACS Appl. Mater. Interfaces , vol.6 , pp. 14405-14414
    • Chen, Y.1    Huang, W.2    He, D.3    Situ, Y.4    Huang, H.5
  • 35
    • 84896854634 scopus 로고    scopus 로고
    • Low Temperature CO Sensor Based on Cataluminescence from Plasma-Assisted Catalytic Oxidation on Ag Doped Alkaline-Earth Nanomaterials
    • Han, J.; Han, F.; Ouyang, J.; He, L.; Zhang, Y.; Na, N. Low Temperature CO Sensor Based on Cataluminescence from Plasma-Assisted Catalytic Oxidation on Ag Doped Alkaline-Earth Nanomaterials Nanoscale 2014, 6, 3069-3072 10.1039/c3nr05405e
    • (2014) Nanoscale , vol.6 , pp. 3069-3072
    • Han, J.1    Han, F.2    Ouyang, J.3    He, L.4    Zhang, Y.5    Na, N.6
  • 38
    • 2442537377 scopus 로고    scopus 로고
    • Efficient Iterative Schemes for Ab Initio Total-Energy Calculations Using a Plane-Wave Basis Set
    • Kresse, G.; Furthmüller, J. Efficient Iterative Schemes for Ab Initio Total-Energy Calculations Using a Plane-Wave Basis Set Phys. Rev. B: Condens. Matter Mater. Phys. 1996, 54, 11169-11186 10.1103/PhysRevB.54.11169
    • (1996) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.54 , pp. 11169-11186
    • Kresse, G.1    Furthmüller, J.2
  • 39
    • 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. 1996, 77, 3865-3868 10.1103/PhysRevLett.77.3865
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3865-3868
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 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, 1758-1775 10.1103/PhysRevB.59.1758
    • (1999) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.59 , pp. 1758-1775
    • Kresse, G.1    Joubert, D.2
  • 42
    • 0034670756 scopus 로고    scopus 로고
    • Implementation of the Projector Augmented Wave LDA+U Method: Application to the Electronic Structure of NiO
    • Bengone, O.; Alouani, M.; Blöchl, P. E.; Hugel, J. Implementation of the Projector Augmented Wave LDA+U Method: Application to the Electronic Structure of NiO Phys. Rev. B: Condens. Matter Mater. Phys. 2000, 62, 16392-16401 10.1103/PhysRevB.62.16392
    • (2000) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.62 , pp. 16392-16401
    • Bengone, O.1    Alouani, M.2    Blöchl, P.E.3    Hugel, J.4
  • 43
    • 0029254909 scopus 로고
    • Reversible Work Transition State Theory: Application to Dissociative Adsorption of Hydrogen
    • Mills, G.; Jonsson, H.; Schenter, G. K. Reversible Work Transition State Theory: Application to Dissociative Adsorption of Hydrogen Surf. Sci. 1995, 324, 305-337 10.1016/0039-6028(94)00731-4
    • (1995) Surf. Sci. , vol.324 , pp. 305-337
    • Mills, G.1    Jonsson, H.2    Schenter, G.K.3
  • 44
    • 0034513054 scopus 로고    scopus 로고
    • A Climbing Image Nudged Elastic Band Method for Finding Saddle Points and Minimum Energy Paths
    • Henkelman, G.; Uberuaga, B. P.; Jónsson, H. A Climbing Image Nudged Elastic Band Method for Finding Saddle Points and Minimum Energy Paths J. Chem. Phys. 2000, 113, 9901-9904 10.1063/1.1329672
    • (2000) J. Chem. Phys. , vol.113 , pp. 9901-9904
    • Henkelman, G.1    Uberuaga, B.P.2    Jónsson, H.3
  • 45
    • 80053478609 scopus 로고    scopus 로고
    • 2(101) Anatase: A Dispersion-Corrected Density Functional Theory Study
    • 2(101) Anatase: A Dispersion-Corrected Density Functional Theory Study J. Chem. Phys. 2011, 135, 124701 10.1063/1.3638181
    • (2011) J. Chem. Phys. , vol.135 , pp. 124701
    • Sorescu, D.C.1    Al-Saidi, W.A.2    Jordan, K.D.3
  • 49
    • 0002928871 scopus 로고
    • Atoms in Molecules
    • Bader, R. F. W. Atoms in Molecules Acc. Chem. Res. 1985, 18, 9-15 10.1021/ar00109a003
    • (1985) Acc. Chem. Res. , vol.18 , pp. 9-15
    • Bader, R.F.W.1
  • 50
    • 33745753520 scopus 로고    scopus 로고
    • A Fast and Robust Algorithm for Bader Decomposition of Charge Density
    • Henkelman, G.; Arnaldsson, A.; Jonsson, H. A Fast and Robust Algorithm for Bader Decomposition of Charge Density Comput. Mater. Sci. 2006, 36, 354-360 10.1016/j.commatsci.2005.04.010
    • (2006) Comput. Mater. Sci. , vol.36 , pp. 354-360
    • Henkelman, G.1    Arnaldsson, A.2    Jonsson, H.3
  • 51
    • 84874416098 scopus 로고    scopus 로고
    • 2 Activation and Reduction on the Ag(111) Monolayer Supported on ZnO(000 1) Substrate
    • 2 Activation and Reduction on the Ag(111) Monolayer Supported on ZnO(000 1) Substrate J. Phys. Chem. C 2013, 117, 1804-1808 10.1021/jp3115868
    • (2013) J. Phys. Chem. C , vol.117 , pp. 1804-1808
    • Xiao, J.P.1    Frauenheim, T.2
  • 53
    • 84929330074 scopus 로고    scopus 로고
    • Density Functional Theory (DFT) Studies of CO Oxidation over Nanoporous Gold: Effects of Residual Ag and CO Self-Promoting Oxidation
    • Wang, P.; Tang, X.; Tang, J.; Pei, Y. Density Functional Theory (DFT) Studies of CO Oxidation over Nanoporous Gold: Effects of Residual Ag and CO Self-Promoting Oxidation J. Phys. Chem. C 2015, 119, 10345-10354 10.1021/jp5124376
    • (2015) J. Phys. Chem. C , vol.119 , pp. 10345-10354
    • Wang, P.1    Tang, X.2    Tang, J.3    Pei, Y.4


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