Comparative study of the nature of chemical bonding of corrugated graphene on Ru(0001) and Rh(111) by electronic structure calculations
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[1] W. Kohn,et al. Self-Consistent Equations Including Exchange and Correlation Effects , 1965 .
[2] Y. Dedkov,et al. A possible source of spin-polarized electrons: The inert graphene/Ni(111) system , 2007, 0710.2514.
[3] Yingkai Zhang,et al. Comment on “Generalized Gradient Approximation Made Simple” , 1998 .
[4] S. Marchini,et al. Scanning tunneling microscopy of graphene on Ru(0001) , 2007 .
[5] Marcella Iannuzzi,et al. Nano-ice on boron nitride nanomesh: accessing proton disorder. , 2010, Chemphyschem : a European journal of chemical physics and physical chemistry.
[6] T. Michely,et al. Structural coherency of graphene on Ir(111). , 2008, Nano letters.
[7] A. Cervellino,et al. Graphene on Ru(0001): a 25 x 25 supercell. , 2008, Physical Review Letters.
[8] Teter,et al. Separable dual-space Gaussian pseudopotentials. , 1996, Physical review. B, Condensed matter.
[9] N. Marzari,et al. Maximally localized generalized Wannier functions for composite energy bands , 1997, cond-mat/9707145.
[10] A. De Vita,et al. Portrait of the potential barrier at metal-organic nanocontacts. , 2010, Nature materials.
[11] Joost VandeVondele,et al. Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases. , 2007, The Journal of chemical physics.
[12] First principles study of the graphene/Ru(0001) interface. , 2009, The Journal of chemical physics.
[13] M. Sasaki,et al. Moiré contrast in the local tunneling barrier height images of monolayer graphite on Pt(111) , 2000 .
[14] G. Wannier. The Structure of Electronic Excitation Levels in Insulating Crystals , 1937 .
[15] T. Michely,et al. CORRIGENDUM: Growth of graphene on Ir(111) Growth of graphene on Ir(111) , 2009 .
[16] M. J. Gladys,et al. Chemical composition and reactivity of water on hexagonal Pt-group metal surfaces. , 2008, Physical chemistry chemical physics : PCCP.
[17] Bin Wang,et al. Comparison of electronic structure and template function of single-layer graphene and a hexagonal boron nitride nanomesh on Ru(0001) , 2009 .
[18] F. Guinea,et al. The electronic properties of graphene , 2007, Reviews of Modern Physics.
[19] Theory of the scanning tunneling microscope , 1985 .
[20] J. Flege,et al. Epitaxial graphene on ruthenium. , 2008, Nature materials.
[21] D. F. Ogletree,et al. Integration of point-contact microscopy and atomic-force microscopy: Application to characterization of graphite/Pt(111) , 1999 .
[22] T. Greber,et al. Graphene on Ru(0001): a corrugated and chiral structure , 2009, 0908.4517.
[23] W. Moritz,et al. Structure determination of the coincidence phase of graphene on Ru(0001). , 2010, Physical review letters.
[24] Michele Parrinello,et al. A hybrid Gaussian and plane wave density functional scheme , 1997 .
[25] S. Goedecker,et al. Relativistic separable dual-space Gaussian pseudopotentials from H to Rn , 1998, cond-mat/9803286.
[26] Matthias Schreck,et al. Boron nitride nanomesh: functionality from a corrugated monolayer. , 2007, Angewandte Chemie.
[27] T. Michely,et al. STM investigation of single layer graphite structures produced on Pt(111) by hydrocarbon decomposition , 1992 .
[28] U. Rüdiger,et al. Rashba effect in the graphene/ni(111) system. , 2007, Physical review letters.
[29] N. Gall’,et al. Interaction of silver atoms with iridium and with a two-dimensional graphite film on iridium: Adsorption, desorption, and dissolution , 2004 .
[30] S. Barja,et al. Electronic and geometric corrugation of periodically rippled, self-nanostructured graphene epitaxially grown on Ru(0001) , 2010, 1005.1764.
[31] Matthias Krack,et al. Pseudopotentials for H to Kr optimized for gradient-corrected exchange-correlation functionals , 2005 .
[32] M. Waldrop,et al. Science 2.0. , 2008, Scientific American.
[33] S. Marchini,et al. Chemical origin of a graphene moiré overlayer on Ru(0001). , 2008, Physical chemistry chemical physics : PCCP.
[34] Raffaele Resta,et al. MACROSCOPIC POLARIZATION IN CRYSTALLINE DIELECTRICS : THE GEOMETRIC PHASE APPROACH , 1994 .
[35] Michele Parrinello,et al. Quickstep: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach , 2005, Comput. Phys. Commun..
[36] B. Wang,et al. Periodicity, work function and reactivity of graphene on Ru(0001) from first principles , 2010 .
[37] J. Carrasco,et al. Insight from first principles into the nature of the bonding between water molecules and 4d metal surfaces. , 2009, The Journal of chemical physics.
[38] T. Greber,et al. Corrugated single layer templates for molecules: From h-BN nanomesh to graphene based quantum dot arrays , 2010, 1006.5692.
[39] C. Oshima,et al. Atomic structure of monolayer graphite formed on Ni(111) , 1996 .
[40] F. Guinea,et al. Periodically rippled graphene: growth and spatially resolved electronic structure. , 2007, Physical review letters.
[41] Andre K. Geim,et al. The rise of graphene. , 2007, Nature materials.
[42] B. Poelsema,et al. Spatial mapping of the inverse decay length using scanning tunneling microscopy , 2008 .
[43] F. Himpsel,et al. Surface science lettersAdsorbate band dispersions for C on Ru(0001) , 1982 .
[44] R. Schaub,et al. Coupling epitaxy, chemical bonding, and work function at the local scale in transition metal-supported graphene. , 2010, ACS Nano.
[45] D. Passerone,et al. Probing the selectivity of a nanostructured surface by xenon adsorption. , 2010, Nanoscale.
[46] SUPARNA DUTTASINHA,et al. Graphene: Status and Prospects , 2009, Science.
[47] Burke,et al. Generalized Gradient Approximation Made Simple. , 1996, Physical review letters.