Exploring the Structure and Chemical Activity of 2-D Gold Islands on Graphene Moire/Ru(0001)

Xu, Y.; Semidey-Flecha, Lymarie; Liu, L.; Zhou, Zihao; Goodman, D. Wayne

doi:10.1039/c1fd00030f

Title: Exploring the Structure and Chemical Activity of 2-D Gold Islands on Graphene Moire/Ru(0001)

Journal Article · Sat Jan 01 00:00:00 EST 2011 · Faraday Discussions

DOI:https://doi.org/10.1039/c1fd00030f· OSTI ID:1065076

Xu, Y.; Semidey-Flecha, Lymarie; Liu, L.; Zhou, Zihao; Goodman, D. Wayne

Au deposited on Ru(0001)-supported extended, continuous graphene moiré forms large 2-D islands at room temperature that are several nanometers in diameter but only 0.55 nm in height, in the apparent absence of typical binding sites such as defects and adsorbates. These Au islands conform to the corrugation of the underlying graphene and display commensurate moiré patterns. Several extended Au structure models on graphene/Ru(0001) are examined using density functional theory calculations. Close-packed Au overlayers are energetically more stable, but all interact weakly with the support. Preliminary tests found the Au islands/graphene/Ru(0001) surface to be active for CO oxidation at cryogenic temperature, which suggests that the Au itself is the locus of catalytic activity.

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Research Organization:: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF); Energy Frontier Research Centers (EFRC) (United States). Center for Atomic-Level Catalyst Design (CALCD)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

DOE Contract Number:: SC0001058

OSTI ID:: 1065076

Journal Information:: Faraday Discussions, Vol. 152; Related Information: CALCD partners with Louisiana State University (lead); Clemson University; University of Florida; Georgia Institute of Technology; Grambling State University; Oak Ridge National Laboratory; Ohio State University; Pennsylvania State; Texas A&M University; Vienna University of Technology, Austria; University of Utrecht, Netherlands

Country of Publication:: United States

Language:: English

References (72)

Novel Gold Catalysts for the Oxidation of Carbon Monoxide at a Temperature far Below 0 °C Haruta, Masatake; Kobayashi, Tetsuhiko; Sano, Hiroshi Chemistry Letters, Vol. 16, Issue 2 https://doi.org/10.1246/cl.1987.405	journal	February 1987
Catalysis by Gold Bond, Geoffrey C.; Thompson, David T. Catalysis Reviews, Vol. 41, Issue 3-4 https://doi.org/10.1081/CR-100101171	journal	January 1999
When Gold Is Not Noble: Catalysis by Nanoparticles Haruta, Masatake The Chemical Record, Vol. 3, Issue 2 https://doi.org/10.1002/tcr.10053	journal	April 2003
New directions in gold catalysis Hutchings, Graham J. Gold Bulletin, Vol. 37, Issue 1-2 https://doi.org/10.1007/BF03215511	journal	March 2004
Surface chemistry of catalysis by gold Meyer, R.; Lemire, C.; Shaikhutdinov, Sh. K. Gold Bulletin, Vol. 37, Issue 1-2 https://doi.org/10.1007/BF03215519	journal	March 2004
Low-temperature water-gas shift reaction on Auα-Fe2O3 catalyst Andreeva, Donka; Idakiev, Vasko; Tabakova, Tatjana Applied Catalysis A: General, Vol. 134, Issue 2 https://doi.org/10.1016/0926-860X(95)00208-1	journal	January 1996
Shape and Crystal-Plane Effects of Nanoscale Ceria on the Activity of Au-CeO₂ Catalysts for the Water–Gas Shift Reaction Si, Rui; Flytzani-Stephanopoulos, Maria Angewandte Chemie International Edition, Vol. 47, Issue 15, p. 2884-2887 https://doi.org/10.1002/anie.200705828	journal	March 2008
Reactivity of the Gold/Water Interface During Selective Oxidation Catalysis Zope, B. N.; Hibbitts, D. D.; Neurock, M. Science, Vol. 330, Issue 6000 https://doi.org/10.1126/science.1195055	journal	September 2010
Gold-Catalyzed Synthesis of Aromatic Azo Compounds from Anilines and Nitroaromatics Grirrane, A.; Corma, A.; Garcia, H. Science, Vol. 322, Issue 5908 https://doi.org/10.1126/science.1166401	journal	December 2008
Selective Oxidation of Styrene on an Oxygen-Covered Au(111) Deng, Xingyi; Friend, Cynthia M. Journal of the American Chemical Society, Vol. 127, Issue 49 https://doi.org/10.1021/ja0557031	journal	December 2005
Propene epoxidation over Au/Ti-SBA-15 catalysts Sacaliuc, E.; Beale, A.; Weckhuysen, B. Journal of Catalysis, Vol. 248, Issue 2 https://doi.org/10.1016/j.jcat.2007.03.014	journal	June 2007
Switching Off Hydrogen Peroxide Hydrogenation in the Direct Synthesis Process Edwards, J. K.; Solsona, B.; N., E. N. Science, Vol. 323, Issue 5917 https://doi.org/10.1126/science.1168980	journal	February 2009
Selectivity Control in Gold-Mediated Esterification of Methanol Xu, Bingjun; Liu, Xiaoying; Haubrich, Jan Angewandte Chemie International Edition, Vol. 48, Issue 23, p. 4206-4209 https://doi.org/10.1002/anie.200805404	journal	May 2009
Size- and support-dependency in the catalysis of gold Haruta, Masatake Catalysis Today, Vol. 36, Issue 1 https://doi.org/10.1016/S0920-5861(96)00208-8	journal	April 1997
Onset of Catalytic Activity of Gold Clusters on Titania with the Appearance of Nonmetallic Properties Valden, M. Science, Vol. 281, Issue 5383 https://doi.org/10.1126/science.281.5383.1647	journal	September 1998
The Structure of Catalytically Active Gold on Titania Chen, M. S. Science, Vol. 306, Issue 5694 https://doi.org/10.1126/science.1102420	journal	October 2004
Catalytically Active Gold: From Nanoparticles to Ultrathin Films Chen, Mingshu; Goodman, D. Wayne Accounts of Chemical Research, Vol. 39, Issue 10 https://doi.org/10.1021/ar040309d	journal	October 2006
Oxidation Catalysis by Oxide-Supported Au Nanostructures: The Role of Supports and the Effect of External Conditions Laursen, Siris; Linic, Suljo Physical Review Letters, Vol. 97, Issue 2 https://doi.org/10.1103/PhysRevLett.97.026101	journal	July 2006
Oxidation state of oxide supported nanometric gold Wang, J. G.; Hammer, B. Topics in Catalysis, Vol. 44, Issue 1-2 https://doi.org/10.1007/s11244-007-0277-9	journal	June 2007
Formation of Gold(I) Edge Oxide at Flat Gold Nanoclusters on an Ultrathin MgO Film under Ambient Conditions Frondelius, Pentti; Häkkinen, Hannu; Honkala, Karoliina Angewandte Chemie International Edition, Vol. 49, Issue 43 https://doi.org/10.1002/anie.201003851	journal	September 2010
Promotional effect of hydroxyl on the aqueous phase oxidation of carbon monoxide and glycerol over supported Au catalysts Ketchie, William C.; Murayama, Mitsuhiro; Davis, Robert J. Topics in Catalysis, Vol. 44, Issue 1-2 https://doi.org/10.1007/s11244-007-0304-x	journal	June 2007
Gold nanoparticles on electroless-deposition-derived MnOx/C: Synthesis, characterization, and catalytic CO oxidation Ma, Z.; Liang, C.; Overbury, S. Journal of Catalysis, Vol. 252, Issue 1 https://doi.org/10.1016/j.jcat.2007.08.013	journal	November 2007
Graphene on metal surfaces Wintterlin, J.; Bocquet, M. -L. Surface Science, Vol. 603, Issue 10-12 https://doi.org/10.1016/j.susc.2008.08.037	journal	June 2009
Investigations of Graphitic Overlayers Formed from Methane Decomposition on Ru(0001) and Ru(11.hivin.20) Catalysts with Scanning Tunneling Microscopy and High-Resolution Electron Energy Loss Spectroscopy Wu, Ming-Cheng; Xu, Qiang; Goodman, D. Wayne The Journal of Physical Chemistry, Vol. 98, Issue 19 https://doi.org/10.1021/j100070a027	journal	May 1994
Structural Coherency of Graphene on Ir(111) Coraux, Johann; N‘Diaye, Alpha T.; Busse, Carsten Nano Letters, Vol. 8, Issue 2 https://doi.org/10.1021/nl0728874	journal	February 2008
Growth of graphene on Ir(111) Coraux, Johann; N'Diaye, Alpha T.; Engler, Martin New Journal of Physics, Vol. 11, Issue 3 https://doi.org/10.1088/1367-2630/11/3/039801	journal	March 2009
Structure of epitaxial graphene on Ir(111) N'Diaye, Alpha T.; Coraux, Johann; Plasa, Tim N. New Journal of Physics, Vol. 10, Issue 4 https://doi.org/10.1088/1367-2630/10/4/043033	journal	April 2008
Two-Dimensional Ir Cluster Lattice on a Graphene Moiré on Ir(111) N’Diaye, Alpha T.; Bleikamp, Sebastian; Feibelman, Peter J. Physical Review Letters, Vol. 97, Issue 21 https://doi.org/10.1103/PhysRevLett.97.215501	journal	November 2006
A versatile fabrication method for cluster superlattices N'Diaye, Alpha T.; Gerber, Timm; Busse, Carsten New Journal of Physics, Vol. 11, Issue 10 https://doi.org/10.1088/1367-2630/11/10/103045	journal	October 2009
Pinning of graphene to Ir(111) by flat Ir dots Feibelman, Peter J. Physical Review B, Vol. 77, Issue 16 https://doi.org/10.1103/PhysRevB.77.165419	journal	April 2008
Onset of three-dimensional Ir islands on a graphene/Ir(111) template Feibelman, Peter J. Physical Review B, Vol. 80, Issue 8 https://doi.org/10.1103/PhysRevB.80.085412	journal	August 2009
Reactivity of periodically rippled graphene grown on Ru(0001) Borca, B.; Calleja, F.; Hinarejos, J. J. Journal of Physics: Condensed Matter, Vol. 21, Issue 13 https://doi.org/10.1088/0953-8984/21/13/134002	journal	March 2009
Growth Mechanism of Graphene on Ru(0001) and O ₂ Adsorption on the Graphene/Ru(0001) Surface Zhang, Hui; Fu, Qiang; Cui, Yi The Journal of Physical Chemistry C, Vol. 113, Issue 19 https://doi.org/10.1021/jp810514u	journal	April 2009
Deposition of metal clusters on single-layer graphene/Ru(0001): Factors that govern cluster growth Zhou, Zihao; Gao, Feng; Goodman, D. Wayne Surface Science, Vol. 604, Issue 13-14 https://doi.org/10.1016/j.susc.2010.03.008	journal	July 2010
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Kresse, G.; Furthmüller, J. Computational Materials Science, Vol. 6, Issue 1, p. 15-50 https://doi.org/10.1016/0927-0256(96)00008-0	journal	July 1996
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium Kresse, G.; Hafner, J. Physical Review B, Vol. 49, Issue 20, p. 14251-14269 https://doi.org/10.1103/PhysRevB.49.14251	journal	May 1994
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
From ultrasoft pseudopotentials to the projector augmented-wave method Kresse, G.; Joubert, D. Physical Review B, Vol. 59, Issue 3, p. 1758-1775 https://doi.org/10.1103/PhysRevB.59.1758	journal	January 1999
High-precision sampling for Brillouin-zone integration in metals Methfessel, M.; Paxton, A. T. Physical Review B, Vol. 40, Issue 6 https://doi.org/10.1103/PhysRevB.40.3616	journal	August 1989
Lattice Dynamics of Pyrolytic Graphite Nicklow, R.; Wakabayashi, N.; Smith, H. G. Physical Review B, Vol. 5, Issue 12 https://doi.org/10.1103/PhysRevB.5.4951	journal	June 1972
Relativistic calculations to assess the ability of the generalized gradient approximation to reproduce trends in cohesive properties of solids Philipsen, P. H. T.; Baerends, E. J. Physical Review B, Vol. 61, Issue 3 https://doi.org/10.1103/PhysRevB.61.1773	journal	January 2000
Adsorbate-substrate and adsorbate-adsorbate interactions of Na and K adlayers on Al(111) Neugebauer, Jörg; Scheffler, Matthias Physical Review B, Vol. 46, Issue 24 https://doi.org/10.1103/PhysRevB.46.16067	journal	December 1992
A grid-based Bader analysis algorithm without lattice bias Tang, W.; Sanville, E.; Henkelman, G. Journal of Physics: Condensed Matter, Vol. 21, Issue 8 https://doi.org/10.1088/0953-8984/21/8/084204	journal	January 2009
Scanning tunneling microscopy of graphene on Ru(0001) Marchini, S.; Günther, S.; Wintterlin, J. Physical Review B, Vol. 76, Issue 7 https://doi.org/10.1103/PhysRevB.76.075429	journal	August 2007
Chemical origin of a graphene moiré overlayer on Ru(0001) Wang, B.; Bocquet, M. -L.; Marchini, S. Physical Chemistry Chemical Physics, Vol. 10, Issue 24 https://doi.org/10.1039/b801785a	journal	January 2008
Magnetism in graphene oxide Wang, Min; Ming Li, Chang New Journal of Physics, Vol. 12, Issue 8 https://doi.org/10.1088/1367-2630/12/8/083040	journal	August 2010
Structure Determination of the Coincidence Phase of Graphene on Ru(0001) Moritz, W.; Wang, B.; Bocquet, M. -L. Physical Review Letters, Vol. 104, Issue 13 https://doi.org/10.1103/PhysRevLett.104.136102	journal	April 2010
Graphene on Ru(0001): A $25 \times 25$ Supercell Martoccia, D.; Willmott, P. R.; Brugger, T. Physical Review Letters, Vol. 101, Issue 12 https://doi.org/10.1103/PhysRevLett.101.126102	journal	September 2008
Periodically Rippled Graphene: Growth and Spatially Resolved Electronic Structure Vázquez de Parga, A. L.; Calleja, F.; Borca, B. Physical Review Letters, Vol. 100, Issue 5 https://doi.org/10.1103/PhysRevLett.100.056807	journal	February 2008
Highly Ordered, Millimeter-Scale, Continuous, Single-Crystalline Graphene Monolayer Formed on Ru (0001) Pan, Yi; Zhang, Haigang; Shi, Dongxia Advanced Materials, Vol. 21, Issue 27 https://doi.org/10.1002/adma.200800761	journal	December 2008
Graphene on Ru(0001): a corrugated and chiral structure Martoccia, D.; Björck, M.; Schlepütz, C. M. New Journal of Physics, Vol. 12, Issue 4 https://doi.org/10.1088/1367-2630/12/4/043028	journal	April 2010
Electronic and geometric corrugation of periodically rippled, self-nanostructured graphene epitaxially grown on Ru(0001) Borca, Bogdana; Barja, Sara; Garnica, Manuela New Journal of Physics, Vol. 12, Issue 9 https://doi.org/10.1088/1367-2630/12/9/093018	journal	September 2010
Metal adatoms on graphene and hexagonal boron nitride: Towards rational design of self-assembly templates Yazyev, Oleg V.; Pasquarello, Alfredo Physical Review B, Vol. 82, Issue 4 https://doi.org/10.1103/PhysRevB.82.045407	journal	July 2010
The 2-D growth of gold on single-layer graphene/Ru(0001): Enhancement of CO adsorption Liu, Li; Zhou, Zihao; Guo, Qinlin Surface Science, Vol. 605, Issue 17-18 https://doi.org/10.1016/j.susc.2011.04.040	journal	September 2011
Theoretical study of the Au/TiO2() interface Lopez, N.; Nørskov, J. K. Surface Science, Vol. 515, Issue 1 https://doi.org/10.1016/S0039-6028(02)01873-3	journal	August 2002
Gold Nanostructures on TiO _x /Mo(112) Thin Films Zhang, Yongfan; Giordano, Livia; Pacchioni, Gianfranco The Journal of Physical Chemistry C, Vol. 112, Issue 1 https://doi.org/10.1021/jp074837t	journal	December 2007
Interaction of Gold Clusters with Color Centers on MgO(001) Films Sterrer, Martin; Yulikov, Maxim; Fischbach, Esther Angewandte Chemie International Edition, Vol. 45, Issue 16 https://doi.org/10.1002/anie.200504443	journal	April 2006
Interaction of Au with titania: the role of reduced Ti Chen, M. S.; Goodman, D. W. Topics in Catalysis, Vol. 44, Issue 1-2 https://doi.org/10.1007/s11244-007-0276-x	journal	June 2007
Enhanced Bonding of Gold Nanoparticles on Oxidized TiO2(110) Matthey, D.; Wang, J. G.; Wendt, S. Science, Vol. 315, Issue 5819 https://doi.org/10.1126/science.1135752	journal	March 2007
Towards extending the applicability of density functional theory to weakly bound systems Wu, X.; Vargas, M. C.; Nayak, S. The Journal of Chemical Physics, Vol. 115, Issue 19 https://doi.org/10.1063/1.1412004	journal	November 2001
Semiempirical GGA-type density functional constructed with a long-range dispersion correction Grimme, Stefan Journal of Computational Chemistry, Vol. 27, Issue 15, p. 1787-1799 https://doi.org/10.1002/jcc.20495	journal	January 2006
Identifying an O ₂ Supply Pathway in CO Oxidation on Au/TiO ₂ (110): A Density Functional Theory Study on the Intrinsic Role of Water Liu, L. M.; McAllister, B.; Ye, H. Q. Journal of the American Chemical Society, Vol. 128, Issue 12 https://doi.org/10.1021/ja056801p	journal	March 2006
Adsorption and Dissociation of O ₂ on Gold Surfaces: Effect of Steps and Strain Xu, Ye; Mavrikakis, Manos The Journal of Physical Chemistry B, Vol. 107, Issue 35 https://doi.org/10.1021/jp034380x	journal	September 2003
On the origin of the catalytic activity of gold nanoparticles for low-temperature CO oxidation Lopez, N. Journal of Catalysis, Vol. 223, Issue 1 https://doi.org/10.1016/j.jcat.2004.01.001	journal	April 2004
CO Oxidation on Rutile-Supported Au Nanoparticles Remediakis, Ioannis N.; Lopez, Nuria; Nørskov, Jens K. Angewandte Chemie International Edition, Vol. 44, Issue 12 https://doi.org/10.1002/anie.200461699	journal	February 2005
Evaluation of the Au size effect: CO oxidation catalyzed by Au/TiO2 Overbury, S.; Schwartz, V.; Mullins, D. Journal of Catalysis, Vol. 241, Issue 1 https://doi.org/10.1016/j.jcat.2006.04.018	journal	July 2006
Metallic Corner Atoms in Gold Clusters Supported on Rutile Are the Dominant Active Site during Water−Gas Shift Catalysis Williams, W. Damion; Shekhar, Mayank; Lee, Wen-Sheng Journal of the American Chemical Society, Vol. 132, Issue 40 https://doi.org/10.1021/ja1064262	journal	October 2010
Catalytic Role of Gold in Gold-Based Catalysts: A Density Functional Theory Study on the CO Oxidation on Gold Liu, Zhi-Pan; Hu, P.; Alavi, Ali Journal of the American Chemical Society, Vol. 124, Issue 49 https://doi.org/10.1021/ja0205885	journal	December 2002
Structure–activity relationships in supported Au catalysts Chen, M. S.; Goodman, D. W. Catalysis Today, Vol. 111, Issue 1-2 https://doi.org/10.1016/j.cattod.2005.10.007	journal	January 2006
Some recent theoretical advances in the understanding of the catalytic activity of Au Molina, L. M.; Hammer, B. Applied Catalysis A: General, Vol. 291, Issue 1-2 https://doi.org/10.1016/j.apcata.2005.01.050	journal	September 2005
Factors in gold nanocatalysis: oxidation of CO in the non-scalable size regime Landman, Uzi; Yoon, Bokwon; Zhang, Chun Topics in Catalysis, Vol. 44, Issue 1-2 https://doi.org/10.1007/s11244-007-0288-6	journal	June 2007

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