Effects of single metal atom (Pt, Pd, Rh and Ru) adsorption on the photocatalytic properties of anatase TiO 2

Applied Surface Science

Volumn 426, Issue , 2017, Pages 639-646

  Jin, Cui ^a   Dai, Ying ^a   Wei, Wei ^a   Ma, Xiangchao ^a   Li, Mengmeng ^a   Huang, Baibiao ^a  

^a SHANDONG UNIVERSITY   (China)

Author keywords

Active sites; Anatase TiO 2; Photocatalytic; Reducing capacity; Single atom catalysts

Indexed keywords

ADSORPTION; ATOMS; CALCULATIONS; CATALYST ACTIVITY; CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; ENERGY GAP; METALS; PHOTOCATALYSIS; POTENTIAL ENERGY; RUTHENIUM COMPOUNDS;

ACTIVE SITE; ANATASE TIO2; PHOTO-CATALYTIC; REDUCING CAPACITY; SINGLE ATOMS;

TITANIUM DIOXIDE;

EID: 85026556583     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2017.07.065     Document Type: Article

References (69)

1. Herzing, A.A., Kiely, C.J., Carley, A.F., Landon, P., Hutchings, G.J., Identification of active gold nanoclusters on iron oxide supports for CO oxidation. Science 321 (2008), 1331–1335.
2. Turner, M., Golovko, V.B., Vaughan, O.P.H., Abdulkin, P., Berenguer-Murcia1, A., Tikhov, M.S., Johnson, B.F.G., Lambert, R.M., Selective oxidation with dioxygen by gold nanoparticle catalysts derived from 55-atom clusters. Nature 454 (2008), 981–983.
3. Vajda, S., Pellin, M.J., Greeley, J.P., Marshall, C.L., Curtiss, L.A., Ballentine, G.A., Elam, J.W., Catillon-Mucherie, S., Redfern, P.C., Mehmood, F., Zapol, P., Subnanometre platinum clusters as highly active and selective catalysts for the oxidative dehydrogenation of propane. Nat. Mater. 8 (2009), 213–216.
4. Judai, K., Abbet, S., Wörz, A.S., Heiz, U., Henry, C.R., Low-temperature cluster catalysis. J. Am. Chem. Soc. 126 (2004), 2732–2737.
5. Lei, Y., Mehmood, F., Lee, S., Greeley, J., Lee, B., Seifert, S., Winans, R.E., Elam, J.W., Meyer, R.J., Redfern, P.C., Teschner, D., Schlögl, R., Pellin, M.J., Curtiss, L.A., Vajda, S., Increased silver activity for direct propylene epoxidation via subnanometer size effects. Science 328 (2010), 224–228.
6. Lin, J., Qiao, B., Liu, J., Huang, Y., Wang, A., Li, L., Zhang, W., Allard, L.F., Wang, X., Zhang, T., Design of a highly active Ir/Fe(OH)x catalyst: versatile application of Pt-group metals for the preferential oxidation of carbon monoxide. Angew. Chem. Int. Ed. 51 (2012), 2920–2924.
7. Heiz, U., Sanchez, A., Abbet, S., Schneider, W.D., Catalytic oxidation of carbon monoxide on monodispersed platinum clusters: each atom counts. J. Am. Chem. Soc. 121 (1999), 3214–3217.
8. Qiao, B., Liu, L., Zhang, J., Deng, Y., Preparation of highly effective ferric hydroxide supported noble metal catalysts for CO oxidations: from gold to palladium. J. Catal. 261 (2009), 241–244.
9. Kaden, W.E., Wu, T., Kunkel, W.A., Anderson, S.L., Electronic structure controls reactivity of size-selected Pd clusters adsorbed on TiO2 surfaces. Science 326 (2009), 826–829.
10. Haruta, M., Size- and support-dependency in the catalysis of gold. Catal. Today 36 (1997), 153–166.
11. Chen, M.S., Goodman, D.W., The structure of catalytically active gold on titania. Science 306 (2004), 252–255.
12. Qiao, B., Wang, A., Yang, X., Allard, L.F., Jiang, Z., Cui, Y., Liu, J., Li, J., Zhang, T., Single-atom catalysis of CO oxidation using Pt1/FeOx. Nat. Chem. 3 (2011), 634–641.
13. Thomas, J.M., Saghi, Z., Gai, P.L., Can a single atom serve as the active site in some heterogeneous catalysts?. Top. Catal. 54 (2011), 588–594.
14. Ranocchiari, M., Lothschütz, C., Grolimund, D., van Bokhoven, J.A., Single-atom active sites on metal-organic frameworks. Proc. R. Soc. A 468 (2012), 1985–1999.
15. Flytzani-Stephanopoulos, M., Gates, B.C., Atomically dispersed supported metal catalysts. Annu. Rev. Chem. Biomol. Eng. 3 (2012), 545–574.
16. Yang, X., Wang, A., Qiao, B., Li, J., Liu, J., Zhang, T., Single-atom catalysts: a new frontier in heterogeneous catalysis. Acc. Chem. Res. 46 (2013), 1740–1748.
17. Hackett, S.F., Brydson, R.M., Gass, M.H., Harvey, I., Newman, A.D., Wilson, K., Lee, A.F., High-activity, single-site mesoporous Pd/Al2O3 catalysts for selective aerobic oxidation of allylic alcohols. Angew. Chem. Int. Ed. 46 (2007), 8593–8596.
18. Zhang, C., Liu, F., Zhai, Y., Ariga, H., Yi, N., Liu, Y., Asakura, K., Flytzani-Stephanopoulos, M., He, H., Alkali-metal-promoted Pt/TiO2 opens a more efficient pathway to formaldehyde oxidation at ambient temperatures. Angew. Chem. Int. Ed. 51 (2012), 9628–9632.
19. Huang, Z., Gu, X., Cao, Q., Hu, P., Hao, J., Li, J., Tang, X., Catalytically active single-atom sites fabricated from silver particles. Angew. Chem. Int. Ed. 51 (2012), 4198–4203.
20. Tang, W., Hu, Z., Wang, M., Stucky, G.D., Metiu, H., McFarland, E.W., Methane complete and partial oxidation catalyzed by Pt-doped CeO2. J. Catal. 273 (2010), 125–137.
21. Fu, Q., Saltsburg, H., Flytzani-Stephanopoulos, M., Active nonmetallic Au and Pt species on ceria-based water-gas shift catalysts. Science 301 (2003), 935–938.
22. Yang, M., Allard, L.F., Flytzani-Stephanopoulos, M., Atomically dispersed Au-(OH) species bound on titania catalyze the low-temperature water-gas shift reaction. J. Am. Chem. Soc. 135 (2013), 3768–3771.
23. Zhang, X., Shi, H., Xu, B.Q., Catalysis by gold: isolated surface Au3+ ions are active sites for selective hydrogenation of 1,3-butadiene over Au/ZrO2 catalysts. Angew. Chem. Int. Ed. 44 (2005), 7132–7135.
24. Gandhi, H.S., Graham, G.W., McCabe, R.W., Automotive exhaust catalysis. J. Catal. 216 (2003), 433–442.
25. Campelo, J.M., Luna, D., Luque, R., Marinas, J.M., Romero, A.A., Sustainable preparation of supported metal nanoparticles and their applications in catalysis. ChemSusChem 2 (2009), 18–45.
26. Liu, H., Song, C., Zhang, L., Zhang, J., Wang, H., Wilkinson, D.P., A review of anode catalysis in the direct methanol fuel cell. J. Power Sources 155 (2006), 95–110.
27. Liang, S., Hao, C., Shi, Y., The power of single-atom catalysis. ChemCatChem 7 (2015), 2559–2567.
28. Adzic, R.R., Zhang, J., Sasaki, K., Vukmirovic, M.B., Shao, M., Wang, J.X., Nilekar, A.U., Mavrikakis, M., Valerio, J.A., Uribe, F., Platinum monolayer fuel cell electrocatalysts. Top. Catal. 46 (2007), 249–262.
29. Wei, W., Dai, Y., Guo, M., Huang, B., Au adsorption and Au-mediated charge transfer on the SrO-termination of SrTiO3 (001) surface. Appl. Surf. Sci. 257 (2011), 6607–6611.
30. Wei, W., Dai, Y., Guo, M., Niu, C., Huang, B., Ag-mediated charge transfer from electron-doped SrTiO3 to CO and NO: a first-principles study. Surf. Sci. 605 (2011), 1331–1335.
31. Wei, W., Dai, Y., Lai, K., Guo, M., Huang, B., Atomic Cu adsorption on defect-free SrTiO3 (001) surface. Chem. Phys. Lett. 510 (2011), 104–108.
32. Gao, G., Jiao, Y., Waclawik, E.R., Du, A., Single atom (Pd/Pt) supported on graphitic carbon nitride as an efficient photocatalyst for visible-light reduction of carbon dioxide. J. Am. Chem. Soc. 138 (2016), 6292–6297.
33. Xing, J., Chen, J.F., Li, Y.H., Yuan, W.T., Zhou, Y., Zheng, L.R., Wang, H.F., Hu, P., Wang, Y., Zhao, H.J., Wang, Y., Yang, H.G., Stable isolated metal atoms as active sites for photocatalytic hydrogen evolution. Chem. Eur. J. 20 (2014), 2138–2144.
34. Kaise, M., Nagai, H., Tokuhashi, K., Kondo, S., Nimura, S., Kikuchi, O., Electron spin resonance studies of photocatalytic interface reactions of suspended M/TiO2 (M = Pt, Pd Ir, Rh, Os, or Ru) with alcohol and acetic acid in aqueous media. Langmuir 10 (1994), 1345–1347.
35. Sathish, M., Viswanathan, B., Viswanath, R.P., Alternate synthetic strategy for the preparation of CdS nanoparticles and its exploitation for water splitting. Int. J. Hydrogen Energy 31 (2006), 891–898.
36. Bae, S.W., Borse, P.H., Lee, J.S., Dopant dependent band gap tailoring of hydrothermally prepared cubic SrTixM1-xO3 (M = Ru Rh, Ir, Pt, Pd) nanoparticles as visible light photocatalysts. Appl. Phys. Lett., 92, 2008, 104107.
37. Zhang, L., Fu, X., Meng, S., Jiang, X., Wang, J., Chen, S., Ultra-low content of Pt modified CdS nanorods: one-pot synthesis and high photocatalytic activity for H2 production under visible light. J. Mater. Chem. A 3 (2015), 23732–23742.
38. Diebold, U., The surface science of titanium dioxide. Surf. Sci. Rep. 48 (2003), 53–229.
39. Lazzeri, M., Vittadini, A., Selloni, A., Structure and energetics of stoichiometric TiO2 anatase surfaces. Phys. Rev. B, 63, 2001, 155409.
40. Hohenberg, P., Kohn, W., Inhomogeneous electron gas. Phys. Rev., 136, 1964, B864.
41. Kohn, W., Sham, L.J., Self-consistent equations including exchange and correlation effects. Phys. Rev., 140, 1965, A1133.
42. Kresse, G., Furthmüller, J., Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys. Rev. B, 54, 1996, 11169.
43. Kresse, G., Joubert, D., From ultrasoft pseudopotentials to the projector augmented-wave method. Phys. Rev. B, 59, 1999, 1758.
44. Blöchl, P.E., Projector augmented-wave method. Phys. Rev. B, 50, 1994, 17953.
45. Perdew, J.P., Wang, Y., Accnrate and simple analytic representation of the electron-gas correlation energy. Phys. Rev. B, 45, 1992, 13244.
46. Grimme, S., Semiempirical GGA-type density functional constructed with a long-range dispersion correction. J. Comput. Chem. 27 (2006), 1787–1799.
47. Neugebauer, J., Scheffler, M., Adsorbate-substrate and adsorbate-adsorbate interactions of Na and K adlayers on Al (111). Phys. Rev. B, 46, 1992, 16067.
48. Heyd, J., Scuseria, G.E., Ernzerhof, M., Hybrid functionals based on a screened Coulomb potential. J. Chem. Phys. 118 (2003), 8207–8215.
49. Long, R., English, N.J., Tailoring the electronic structure of TiO2 by cation codoping from hybrid density functional theory calculations. Phys. Rev. B, 83, 2011, 155209.
50. Harb, M., Sautet, P., Raybaud, P., Origin of the enhanced visible-light absorption in N-doped bulk anatase TiO2 from first-principles calculations. J. Phys. Chem. C 115 (2011), 19394–19404.
51. Li, S., Lu, X., Guo, W., Zhu, H., Li, M., Zhao, L., Li, Y., Shan, H., Formaldehyde oxidation on the Pt/TiO2 (101) surface: a DFT investigation. J. Organomet. Chem. 704 (2012), 38–48.
52. Han, Y., Liu, C., Ge, Q., Interaction of Pt clusters with the anatase TiO2 (101) surface: a first principles study. J. Phys. Chem. B 110 (2006), 7463–7472.
53. Zhang, J., Zhang, M., Han, Y., Li, W., Meng, X., Zong, B., Nucleation and growth of palladium clusters on anatase TiO2 (101) surface: a first principle study. J. Phys. Chem. C 112 (2008), 19506–19515.
54. Gong, X.Q., Selloni, A., Dulub, O., Jacobson, P., Diebold, U., Small Au and Pt clusters at the anatase TiO2 (101) surface: behavior at terraces, steps, and surface oxygen vacancies. J. Am. Chem. Soc. 130 (2008), 370–381.
55. Zhang, S.T., Li, C.M., Yan, H., Wei, M., Evans, D.G., Duan, X., Density functional theory study on the metal–support interaction between Ru cluster and anatase TiO2 (101) surface. J. Phys. Chem. C 118 (2014), 3514–3522.
56. Chen, H.Y.T., Tosoni, S., Pacchioni, G., Adsorption of ruthenium atoms and clusters on anatase TiO2 and tetragonal ZrO2 (101) surfaces: a comparative DFT study. J. Phys. Chem. C 119 (2015), 10856–10868.
57. Zhou, Y., Muhich, C.L., Neltner, B.T., Weimer, A.W., Musgrave, C.B., Growth of Pt particles on the anatase TiO2 (101) surface. J. Phys. Chem. C 116 (2012), 12114–12123.
58. Badano, J.M., Quiroga, M., Betti, C., Vera, C., Canavese, S., Coloma-Pascual, F., Resistance to sulfur and oxygenated compounds of supported Pd, Pt Rh, Ru catalysts. Catal. Lett. 137 (2010), 35–44.
59. Meng, H., Zhan, Y., Zeng, D., Zhang, X., Zhang, G., Jaouen, F., Factors influencing the growth of Pt nanowires via chemical self-assembly and their fuel cell performance. Small 11 (2015), 3377–3386.
60. Ftouni, J., Muñoz-Murillo, A., Goryachev, A., Hofmann, J.P., Hensen, E.J.M., Lu, L., Kiely, C.J., Bruijnincx, P.C.A., Weckhuysen, B.M., ZrO2 is preferred over TiO2 as support for the Ru-catalyzed hydrogenation of levulinic acid to γ-valerolactone. ACS Catal. 6 (2016), 5462–5472.
61. Abbasi, A., Sardroodi, J.J., N-doped TiO2 anatase nanoparticles as a highly sensitive gas sensor for NO2 detection: insights from DFT computations. Environ. Sci. Nano 3 (2016), 1153–1164.
62. Abbasi, A., Sardroodi, J.J., Modified N-doped TiO2 anatase nanoparticle as an ideal O3 gas sensor: insights from density functional theory calculations. Comput. Theor. Chem. 1095 (2016), 15–28.
63. Novotný, Z., Argentero, G., Wang, Z., Schmid, M., Diebold, U., Parkinson, G.S., Ordered array of single adatoms with remarkable thermal stability: Au/Fe3O4 (001). Phys. Rev. Lett., 108, 2012, 216103.
64. Rim, K.T., Eom, D., Liu, L., Stolyarova, E., Raitano, J.M., Chan, S.W., Flytzani-Stephanopoulos, M., Flynn, G.W., Charging and chemical reactivity of gold nanoparticles and adatoms on the (111) surface of single-crystal magnetite: a scanning tunneling microscopy/spectroscopy study. J. Phys. Chem. C 113 (2009), 10198–10205.
65. Molina, L.M., Alonso, J.A., Chemical properties of small Au clusters: an analysis of the local site reactivity. J. Phys. Chem. C 111 (2007), 6668–6677.
66. Ayers, P.W., Parr, R.G., Variational principles for describing chemical reactions: the fukui function and chemical hardness revisited. J. Am. Chem. Soc. 122 (2000), 2010–2018.
67. Linsebigler, A.L., Lu, G., Yates, J.T., Photocatalysis on TiO2 surfaces: principles, mechanisms, and selected results. Chem. Rev. 95 (1995), 735–758.
68. Deák, P., Kullgren, J., Aradi, B., Frauenheim, T., Kavan, L., Water splitting and the band edge positions of TiO2. Electrochim. Acta 199 (2016), 27–34.
69. Cheng, H., Selloni, A., Hydroxide ions at the water/anatase TiO2 (101) interface: structure and electronic states from first principles molecular dynamics. Langmuir 26 (2010), 11518–11525.