[1]
G.A. Somorjai, Introduction to Surface Chemistry and Catalysis, John Wiley & Sons Inc, New York, (1994).
Google Scholar
[2]
M. Watanabe, S. Motoo, Electrocatalysis by ad-atoms: Part II Enhancement of the oxidation of methanol on Platinum by Ruthenium ad-atoms, J. Electroanal. Chem. 60 (1975) 267-273.
DOI: 10.1002/chin.197526128
Google Scholar
[3]
M.T. Paffet, S.C. Gebhart, R.G. Windham, B.E. Koel, Chemisorption of carbon monoxide, hydrogen, and oxygen on ordered tin/platinum(111) surface alloys, J. Phys. Chem. 94 (1990) 6831–6839.
DOI: 10.1021/j100380a053
Google Scholar
[4]
C. Xu, B.E. Koel, Probing the modifier precursor state: adsorption of CO on Sn/Pt(111) surface alloys, Surf. Sci. 304 (1994) L505-L511.
DOI: 10.1016/0039-6028(94)91335-8
Google Scholar
[5]
W.T. Cahyanto, M.C. S Escaño, R.L. Arevalo, H. Kasai, Pt(111)-alloy surfaces for non-activated OOH dissociation, e-J. Surf. Sci. Nanotech. 9 (2011) 352-356.
DOI: 10.1380/ejssnt.2011.352
Google Scholar
[6]
J.C. Davies, B.E. Hayden, D.J. Pegg, The modification of Pt(110) by ruthenium: CO adsorption and electro-oxidation, Surf. Sci. 467 (2000) 118-130.
DOI: 10.1016/s0039-6028(00)00743-3
Google Scholar
[7]
B.C. Han, G. Ceder, Effect of coadsorption and Ru alloying on the adsorption of CO on Pt, Phys. Rev. B 74 (2006) 2054181 – 2054188.
DOI: 10.1103/physrevb.74.205418
Google Scholar
[8]
Q. Ge, S. Desai, M. Neurock, K. Kourtakis, CO adsorption on Pt-Ru surface alloys and on the surface of Pt-Ru bulk alloy, J. Phys. Chem. B 105 (2001) 9533-9536.
DOI: 10.1021/jp011144i
Google Scholar
[9]
P.E. Blöchl, Projector augmented-wave method, Phys. Rev. B 50 (1994) 17953-17979.
DOI: 10.1103/physrevb.50.17953
Google Scholar
[10]
J.P. Perdew, J.A. Chevary, S.H. Vosko, K.A. Jackson, M.R. Pederson, D.J. Singh, C. Fiolhais, Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation, Phys. Rev. B, 46 (1992).
DOI: 10.1103/physrevb.46.6671
Google Scholar
[11]
J.P. Perdew, K. Burke, M. Ernzerhof, Generalized gradient approximation made simple, Phys. Rev. Lett. 77 (1996) 3865-3868.
DOI: 10.1103/physrevlett.77.3865
Google Scholar
[12]
H.J. Monkhorst, J.D. Pack, Special points for Brillouin-zone integrations, Phys. Rev. B 13 (1976) 5188-5192.
DOI: 10.1103/physrevb.13.5188
Google Scholar
[13]
M. Methfessel, A. Paxton, High-precision sampling for Brillouin-zone integration in metals, Phys. Rev. B 40 (1989) 3616-3621.
DOI: 10.1103/physrevb.40.3616
Google Scholar
[14]
L. Bengtsson, Dipole correction for surface supercell calculations, Phys. Rev. B 59 (1999) 12301-12304.
DOI: 10.1103/physrevb.59.12301
Google Scholar
[15]
K.R. Lee, M.K. Jeon, S.I. Woo, Composition optimization of PtRuM/C (M=Fe and Mo) catalysts for methanol electro-oxidation via combinatorial method, Appl. Catal. B 91 (2009) 428-433.
DOI: 10.1016/j.apcatb.2009.06.011
Google Scholar
[16]
A.V. Ruban, H.L. Skriver, J.K. Nørskov, Surface segregation energies in transition-metal alloys, Phys. Rev. B 59 (1999) 15990-16000.
DOI: 10.1103/physrevb.59.15990
Google Scholar
[17]
G. Kresse, J. Hafner, Ab initio molecular dynamics for liquid metals, Phys. Rev. B 47 (1993) 558-561.
DOI: 10.1103/physrevb.47.558
Google Scholar
[18]
G. Kresse, J. Furthmüller, Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set, Phys. Rev. B 54 (1996) 11169-11186.
DOI: 10.1103/physrevb.54.11169
Google Scholar
[19]
G. Kresse, J. Furthmüller, Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set, Comput. Mater. Sci. 6 (1996) 15-50.
DOI: 10.1016/0927-0256(96)00008-0
Google Scholar
[20]
K.P. Huber, G. Herzberg, Molecular Spectra and Molecular Structure IV. Constants of Diatomic Molecules, Van Nostrand Reinhold, New York, (1979).
DOI: 10.1007/978-1-4757-0961-2_2
Google Scholar
[21]
Y. Wang, S. de Gironcoli, N.S. Hush, J.R. Reimers, Succesfull a priori modeling of CO adsorption on Pt(111) using periodic hybrid density functional theory, J. Am. Chem. Soc. 129 (2007) 10402-10407.
DOI: 10.1021/ja0712367
Google Scholar
[22]
B. Hammer, J.K. Nørskov, Theoretical surface science and catalysis - calculations and concepts, Adv. Catal. 45 (2000) 71-129.
DOI: 10.1016/s0360-0564(02)45013-4
Google Scholar
[23]
R. Bader, Atoms in Molecules: A Quantum Theory, Oxford University Press, New York, (1990).
Google Scholar