메뉴 건너뛰기




Volumn 389, Issue , 2016, Pages 1220-1232

Dissociation of N 2 O on anatase TiO 2 (001) surface – The effect of oxygen vacancy and presence of Ag cluster

Author keywords

Adsorption; Ag cluster; Anatase; Dissociation; N 2 O; Surface

Indexed keywords

ACTIVATION ENERGY; ADSORPTION; DISSOCIATION; GREENHOUSE EFFECT; MOLECULES; NITROGEN OXIDES; OXYGEN; OXYGEN VACANCIES; OZONE LAYER; SURFACES; TITANIUM DIOXIDE;

EID: 84983551592     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2016.08.102     Document Type: Article
Times cited : (15)

References (55)
  • 2
    • 0034682268 scopus 로고    scopus 로고
    • 2 O isotopomers
    • 2 O isotopomers. Nature 405 (2000), 330–334.
    • (2000) Nature , vol.405 , pp. 330-334
    • Yoshida, N.T.S.1
  • 5
    • 79960620823 scopus 로고    scopus 로고
    • Fighting global warming: the potential of photocatalysis against CO2 CH4, N2O, CFCs, tropospheric O3, BC and other major contributors to climate change
    • [5] Richter, R., Cailol, S., Fighting global warming: the potential of photocatalysis against CO2 CH4, N2O, CFCs, tropospheric O3, BC and other major contributors to climate change. J. Photochem. Photobiol. C 12 (2011), 1–19.
    • (2011) J. Photochem. Photobiol. C , vol.12 , pp. 1-19
    • Richter, R.1    Cailol, S.2
  • 8
    • 84872725612 scopus 로고    scopus 로고
    • 2 -(110) surface under UV illumination and its role on CO oxidation
    • 2 -(110) surface under UV illumination and its role on CO oxidation. J. Phys. Chem. C 117 (2013), 956–961.
    • (2013) J. Phys. Chem. C , vol.117 , pp. 956-961
    • Ji, Y.1    Wang, B.2    Luo, Y.3
  • 10
    • 0012833627 scopus 로고
    • CO chemisorption on TiO2(110): oxygen vacancy site influence on CO adsorption
    • [10] Linsebigler, A., Lu, G., Yates, J.T., CO chemisorption on TiO2(110): oxygen vacancy site influence on CO adsorption. J. Chem. Phys. 103 (1995), 9438–9443.
    • (1995) J. Chem. Phys. , vol.103 , pp. 9438-9443
    • Linsebigler, A.1    Lu, G.2    Yates, J.T.3
  • 12
    • 77957245873 scopus 로고    scopus 로고
    • 4 on the anatase TiO2 (001) and (101) surfaces and their competitive adsorption predicted by periodic DFT calculations
    • 4 on the anatase TiO2 (001) and (101) surfaces and their competitive adsorption predicted by periodic DFT calculations. Mater. Chem. Phys. 124 (2010), 720–725.
    • (2010) Mater. Chem. Phys. , vol.124 , pp. 720-725
    • Raina, W.1    Vithaya, R.2
  • 13
    • 19944384286 scopus 로고    scopus 로고
    • Preparation of controllable crystalline titania and study on the photocatalytic properties
    • [13] Yan, M.C., Chen, F., Zhang, J.L., Anpo, M., Preparation of controllable crystalline titania and study on the photocatalytic properties. J. Phys. Chem. B 109 (2005), 8673–8678.
    • (2005) J. Phys. Chem. B , vol.109 , pp. 8673-8678
    • Yan, M.C.1    Chen, F.2    Zhang, J.L.3    Anpo, M.4
  • 14
    • 4344712155 scopus 로고    scopus 로고
    • Investigation on the synergetic effect between anatase and rutile nanoparticles in gas-phase photocatalytic oxidations
    • [14] Wu, C.Y., Yue, Y.H., Deng, X.Y., Hua, W.M., Gao, Z., Investigation on the synergetic effect between anatase and rutile nanoparticles in gas-phase photocatalytic oxidations. Catal. Today 93 (2004), 863–869.
    • (2004) Catal. Today , vol.93 , pp. 863-869
    • Wu, C.Y.1    Yue, Y.H.2    Deng, X.Y.3    Hua, W.M.4    Gao, Z.5
  • 17
    • 17944364795 scopus 로고    scopus 로고
    • Modeling the morphology and phase stability of TiO2 nanocrystals in water
    • [17] Barnard, A.S., Zapol, P., Curtiss, L.A., Modeling the morphology and phase stability of TiO2 nanocrystals in water. J. Chem. Theory Comput. 1 (2005), 107–116.
    • (2005) J. Chem. Theory Comput. , vol.1 , pp. 107-116
    • Barnard, A.S.1    Zapol, P.2    Curtiss, L.A.3
  • 18
    • 27744597143 scopus 로고    scopus 로고
    • Reactivity of anatase TiO2 nanoparticles: the role of the minority (001) surface
    • [18] Gong, X.Q., Selloni, A., Reactivity of anatase TiO2 nanoparticles: the role of the minority (001) surface. J. Phy. Chem. B 109 (2005), 19560–19562.
    • (2005) J. Phy. Chem. B , vol.109 , pp. 19560-19562
    • Gong, X.Q.1    Selloni, A.2
  • 19
    • 0000228222 scopus 로고    scopus 로고
    • Structure determination of the two-domain (1 (4) anatase TiO2(001) surface
    • [19] Herman, G.S., Sievers, M.R., Gao, Y., Structure determination of the two-domain (1 (4) anatase TiO2(001) surface. Phys. Rev. Lett. 84 (2000), 3354–3357.
    • (2000) Phys. Rev. Lett. , vol.84 , pp. 3354-3357
    • Herman, G.S.1    Sievers, M.R.2    Gao, Y.3
  • 20
    • 0035945223 scopus 로고    scopus 로고
    • Stress-driven reconstruction of an oxide surface: the anatase tiO2(001)-(1)(4) surface
    • [20] Lazzeri, M., Selloni, A., Stress-driven reconstruction of an oxide surface: the anatase tiO2(001)-(1)(4) surface. Phys. Rev. Lett. 87 (2001), 266105–266108.
    • (2001) Phys. Rev. Lett. , vol.87 , pp. 266105-266108
    • Lazzeri, M.1    Selloni, A.2
  • 21
    • 0034895541 scopus 로고    scopus 로고
    • Structure and energetics of stoichiometric TiO2 anatase surfaces
    • [21] Lazzeri, M., Vittadini, A., Selloni, A., Structure and energetics of stoichiometric TiO2 anatase surfaces. Phys. Rev. B 63 (2001), 155409–155417.
    • (2001) Phys. Rev. B , vol.63 , pp. 155409-155417
    • Lazzeri, M.1    Vittadini, A.2    Selloni, A.3
  • 22
    • 84934965519 scopus 로고    scopus 로고
    • Roles of crystal surface in Pt-loaded titania for photocatalytic conversion of organic pollutants: a first-principle theoretical calculation
    • [22] Chen, J.J., Wang, W.K., Li, W.W., Pei, D.N., YU, H.Q., Roles of crystal surface in Pt-loaded titania for photocatalytic conversion of organic pollutants: a first-principle theoretical calculation. J. Phys. Chem. C 7 (2015), 12671–12678.
    • (2015) J. Phys. Chem. C , vol.7 , pp. 12671-12678
    • Chen, J.J.1    Wang, W.K.2    Li, W.W.3    Pei, D.N.4    YU, H.Q.5
  • 23
    • 77951694910 scopus 로고    scopus 로고
    • Constructing hierarchical spheres from large ultrathin anatase TiO2 nanosheets with nearly 100% exposed (001) facets for fast reversible lithium storage
    • [23] Chen, J.S., Tan, Y.L., Li, C.M., Cheah, Y.L., Luan, D., Madhavi, S., Boey, F.Y., Archer, L.A., Lou, X.W., Constructing hierarchical spheres from large ultrathin anatase TiO2 nanosheets with nearly 100% exposed (001) facets for fast reversible lithium storage. J. Am. Chem. Soc. 132 (2010), 6124–6130.
    • (2010) J. Am. Chem. Soc. , vol.132 , pp. 6124-6130
    • Chen, J.S.1    Tan, Y.L.2    Li, C.M.3    Cheah, Y.L.4    Luan, D.5    Madhavi, S.6    Boey, F.Y.7    Archer, L.A.8    Lou, X.W.9
  • 24
    • 0037233037 scopus 로고    scopus 로고
    • The surface science of titanium dioxide
    • [24] Diebold, U., The surface science of titanium dioxide. Surf. Sci. Rep. 48 (2003), 53–229.
    • (2003) Surf. Sci. Rep. , vol.48 , pp. 53-229
    • Diebold, U.1
  • 25
    • 77956177281 scopus 로고    scopus 로고
    • Thermally-driven processes on rutile TiO2(1 1 0)-(1 × 1): a direct view at the atomic scale
    • [25] Dohnalek, Z., Lyubinetsky, I., Rousseau, R., Thermally-driven processes on rutile TiO2(1 1 0)-(1 × 1): a direct view at the atomic scale. Prog. Surf. Sci. 85 (2010), 161–205.
    • (2010) Prog. Surf. Sci. , vol.85 , pp. 161-205
    • Dohnalek, Z.1    Lyubinetsky, I.2    Rousseau, R.3
  • 26
    • 24744447294 scopus 로고    scopus 로고
    • 2 O decomposition on TiO2 (110) from dynamic first principle calculations
    • 2 O decomposition on TiO2 (110) from dynamic first principle calculations. J. Phys. Chem. B. 109 (2005), 16223–16226.
    • (2005) J. Phys. Chem. B. , vol.109 , pp. 16223-16226
    • Oviedo, J.1    Sanz, J.F.2
  • 29
    • 33646233446 scopus 로고    scopus 로고
    • Interaction of Pt clusters with the anataseTiO2 (101) surface: a first principles study
    • [29] Han, Y., Liu, C.J., Interaction of Pt clusters with the anataseTiO2 (101) surface: a first principles study. J. Phys. Chem. B 110 (2006), 7463–7472.
    • (2006) J. Phys. Chem. B , vol.110 , pp. 7463-7472
    • Han, Y.1    Liu, C.J.2
  • 32
    • 84922876379 scopus 로고    scopus 로고
    • 2 nanotube arrays: a composite heterostructure toward versatile photocatalytic and photoelectrochemical applications (pages 554–567)
    • 2 nanotube arrays: a composite heterostructure toward versatile photocatalytic and photoelectrochemical applications (pages 554–567). Small 11 (2015), 554–567.
    • (2015) Small , vol.11 , pp. 554-567
    • Xiao, F.X.1    Hung, S.F.2    Miao, J.3    Wang, H.Y.4    Yang, H.5    Liu, B.6
  • 33
    • 82055161674 scopus 로고    scopus 로고
    • Plasmonic-metal nanostructures for efficient conversion of solar to chemical energy
    • [33] Linic, S., Christopher, P., Ingram, D.B., Plasmonic-metal nanostructures for efficient conversion of solar to chemical energy. Mat. Mater. 10 (2011), 911–921.
    • (2011) Mat. Mater. , vol.10 , pp. 911-921
    • Linic, S.1    Christopher, P.2    Ingram, D.B.3
  • 35
    • 0030190741 scopus 로고    scopus 로고
    • Efficiency of ab-intio total energy calculations for metals and semiconductors using a plane-wave basis set
    • [35] Kresse, G., Furthmuller, J., Efficiency of ab-intio total energy calculations for metals and semiconductors using a plane-wave basis set. Comput. Mater. Sci. 6 (1996), 15–50.
    • (1996) Comput. Mater. Sci. , vol.6 , pp. 15-50
    • Kresse, G.1    Furthmuller, J.2
  • 36
    • 2442537377 scopus 로고    scopus 로고
    • Efficient iterative schemes for ab-initio total energy calculations using a plane-wave basis set
    • [36] Kresse, G., Furthmuller, J., Efficient iterative schemes for ab-initio total energy calculations using a plane-wave basis set. Phys. Rev. B 54 (1996), 11169–11186.
    • (1996) Phys. Rev. B , vol.54 , pp. 11169-11186
    • Kresse, G.1    Furthmuller, J.2
  • 37
    • 12844286241 scopus 로고
    • Ab initio molecular dynamics for liquid metals
    • [37] Kresse, G., Hafner, J., Ab initio molecular dynamics for liquid metals. Phys. Rev. B 47 (1993), 558–561.
    • (1993) Phys. Rev. B , vol.47 , pp. 558-561
    • Kresse, G.1    Hafner, J.2
  • 38
    • 4243943295 scopus 로고    scopus 로고
    • Generalized gradient approximation made simple
    • [38] Perdew, J.P., Burke, K., Ernzerhof, M., Generalized gradient approximation made simple. Phys. Rev. Lett. 77 (1996), 3865–3868.
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3865-3868
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 39
    • 4944232881 scopus 로고    scopus 로고
    • Generalized gradient approximation MAde simple
    • [39] Perdew, J.P., Burke, K., Ernzerhof, M., Generalized gradient approximation MAde simple. Phys. Rev. Lett., 78, 1997, 1396.
    • (1997) Phys. Rev. Lett. , vol.78 , pp. 1396
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 40
    • 1842816907 scopus 로고
    • Special points for brillouin-zone integrations
    • [40] Monkhorst, H.J., Pack, J.D., Special points for brillouin-zone integrations. Phys. Rev. B 13 (1976), 5188–5192.
    • (1976) Phys. Rev. B , vol.13 , pp. 5188-5192
    • Monkhorst, H.J.1    Pack, J.D.2
  • 41
    • 84928555445 scopus 로고    scopus 로고
    • Phase stability, chemical bonding and mechanical properties of titanium nitrides: a first-principles study
    • [41] Yu, S., Zenga, Q., Oganov, A.R., Frapper, G., Zhang, L., Phase stability, chemical bonding and mechanical properties of titanium nitrides: a first-principles study. Phys. Chem. Chem. Phys. 17 (2015), 11763–11769.
    • (2015) Phys. Chem. Chem. Phys. , vol.17 , pp. 11763-11769
    • Yu, S.1    Zenga, Q.2    Oganov, A.R.3    Frapper, G.4    Zhang, L.5
  • 42
    • 84894073745 scopus 로고    scopus 로고
    • A DFT study of the stoichiometric and reduced anatase (0 0 1) surfaces
    • [42] Ortegaa, Y., Heviaa, D.F., Oviedob, J., San-Miguel, M.A., A DFT study of the stoichiometric and reduced anatase (0 0 1) surfaces. Appl. Surf. Sci. 294 (2014), 42–48.
    • (2014) Appl. Surf. Sci. , vol.294 , pp. 42-48
    • Ortegaa, Y.1    Heviaa, D.F.2    Oviedob, J.3    San-Miguel, M.A.4
  • 44
    • 84876741607 scopus 로고    scopus 로고
    • 2 with oxygen vacancies: synthesis, properties and photocatalytic applications
    • 2 with oxygen vacancies: synthesis, properties and photocatalytic applications. Nanoscale 5 (2013), 3601–3614.
    • (2013) Nanoscale , vol.5 , pp. 3601-3614
    • Pan, X.1    Yang, M.Q.2    Fu, X.3    Zhang, N.4    Xu, Y.J.5
  • 48
    • 33947658923 scopus 로고    scopus 로고
    • Improved grid-based algorithm for bader charge allocation
    • [48] Sanville, E., Kenny, S.D., Smith, R., Henkelman, G., Improved grid-based algorithm for bader charge allocation. J. Comput. Chem. 28 (2007), 899–908.
    • (2007) J. Comput. Chem. , vol.28 , pp. 899-908
    • Sanville, E.1    Kenny, S.D.2    Smith, R.3    Henkelman, G.4
  • 49
    • 34047261647 scopus 로고    scopus 로고
    • First-principles calculations of N2O adsorption and decomposition on GaN (0001) surface
    • [49] Hu, C.L., Chen, Y., Li, J.Q., Zhang, Y.F., First-principles calculations of N2O adsorption and decomposition on GaN (0001) surface. Chem. Phys. Lett. 438 (2007), 213–217.
    • (2007) Chem. Phys. Lett. , vol.438 , pp. 213-217
    • Hu, C.L.1    Chen, Y.2    Li, J.Q.3    Zhang, Y.F.4
  • 50
    • 0035810468 scopus 로고    scopus 로고
    • 2 O adsorption and photochemistry on high area TiO2 powder
    • 2 O adsorption and photochemistry on high area TiO2 powder. J. Phys Chem. B 105 (2001), 2596–2603.
    • (2001) J. Phys Chem. B , vol.105 , pp. 2596-2603
    • Rusu, C.N.1    Yates, J.T.2
  • 52
    • 0000335516 scopus 로고
    • Environmental catalysis: adsorption and decomposition of nitrous oxide on zirconia
    • [52] Miller, T.M., Grassian, V.H., Environmental catalysis: adsorption and decomposition of nitrous oxide on zirconia. J. Am. Chem. Soc. 117 (1995), 10969–10975.
    • (1995) J. Am. Chem. Soc. , vol.117 , pp. 10969-10975
    • Miller, T.M.1    Grassian, V.H.2
  • 53
    • 0001228582 scopus 로고
    • Infrared study of the adsorption of nitrous oxide on -alumina
    • [53] Morterra, C., Boccuzzi, F., Coluccia, S., Ghiotti, G., Infrared study of the adsorption of nitrous oxide on -alumina. J. Catal. 65 (1980), 231–234.
    • (1980) J. Catal. , vol.65 , pp. 231-234
    • Morterra, C.1    Boccuzzi, F.2    Coluccia, S.3    Ghiotti, G.4
  • 54
    • 0002200867 scopus 로고
    • An infrared study of nitrous oxide adsorption on α-chromia
    • [54] Zecchina, A., Cerruti, L., Borello, E., An infrared study of nitrous oxide adsorption on α-chromia. J. Catal. 25 (1972), 55–64.
    • (1972) J. Catal. , vol.25 , pp. 55-64
    • Zecchina, A.1    Cerruti, L.2    Borello, E.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.