[1]
|
E. Frantzeskakis, S. Pons, A. Crepaldi, H. Brune, K. Kern, and M. Grioni, 2011. Agcoverage-dependent symmetry of the electronic states of the Pt (111)-Ag-Bi interface: The ARPES view of a structural transition. Physical Review B, 84(24): 245443.
doi:10.1103/PhysRevB.81.241416
|
[2]
|
Jan-Henrik Fisch-er-Wolfarth, Jason A. Farmer, J. Manuel Flores-Camacho, Alexander Genest, Ilya V. Yudanov, Notker R?sch, Charles T. Campbell, Swetlana Schauermann, 1and Hans-Joachim Freund, 2010. Particle-size dependent heats of adsorption of CO on supported Pd nanoparticles as measured with a single-crystal microcalorimeter. Physical Review B, 81(24):241416.
doi:10.1103/PhysRevB.84.245443
|
[3]
|
R. Chen, Z. Chen, B. Mac, X. Hao, N. Kapur, J. Hyun, K. Cho, B. Shan, 2012. CO adsorption on Pt (111) and Pd (111) surfaces: A first-principles based lattice gas Monte-Carlo study. Computational and Theoretical Chemistry, 987 :77-83.
doi:10.1016/j.comptc.2011.07.015
|
[4]
|
J. Steckel, A. Eichler, J. Hafner, 2003. CO adsorption on the CO-precovered Pt (111) surface characterized by density-functional theory. Physical Review B, 68 (8):085416. doi:10.1103/PhysRevB.68.085416
|
[5]
|
F. M. Leibsle, S. S. Dhesi, S. D. Barrett, and A. W. Robinson, 1994. STM observations of Cu(100)?c(2×2)N surfaces: evidence for attractive interactions and an incommensurate c(2 × 2) structure. Surface Science, 317 (3) :309-320. doi:10.1016/0039-6028(94)90287-9
|
[6]
|
T. M. Parker, L. K. Wilson, N. G. Condon, and F. M. Leibsle, 1997. Epitaxy controlled by self-assembled nanometer-scale structures. Physical Review B, 56 (11):6458-6461. doi:10.1103/PhysRevB.56.6458
|
[7]
|
H. Steininger, S. Lehwald, and H. Ibach, 1982. On the adsorption of CO on Pt (111). Surface Science, 123 (2-3) :264-282. doi:10.1016/0039-6028(82)90328-4
|
[8]
|
J. P. Biberian and M.A. Van Hove, 1984. A new model for CO ordering at high coverages on low index metal surfaces: A correlation between LEED, HREELS and IRS: II. CO adsorbed on fcc (111) and hep (0001) surfaces. Surface Science, 138(2-3):361-389.
doi:10.1016/0039-6028(84)90253-X
|
[9]
|
H. Hopster and H. Ibach, 1978. Adsorption of CO on Pt (111) and Pt 6(111) × (111) studied by high resolution electron energy loss spectroscopy and thermal desorption spectroscopy. Surface Science, 77(1):109-117. doi:10.1016/0039-6028(78)90164-4
|
[10]
|
G. S. Blackman, M. L. Xu, D. F. Ogletree, M. A. Van Hove, and G. A. Somorjai, 1988. Mix of Molecular Adsorption Sites Detected for Disordered CO on Pt (111) by Diffuse Low-Energy Electron Diffraction. Physical Review Letters, 61(20):2352-2355.
doi:10.1103/PhysRevLett.61.2352
|
[11]
|
B. E. Hayden and A. M. Bradshaw, 1983. The adsorption of CO on Pt (111) studied by infrared reflection-Absortion spectroscopy. Surface Science, 125(3):787-802.
doi:10.1016/S0039-6028(83)80060-0
|
[12]
|
F. A. Pedersen and M. P. Andersson, 2007. CO adsorption energies on metals with correction for high coordination adsorption sites-A density functional study. Surface Science, 601(7):1747-1753.
doi:10.1016/j.susc.2007.01.052
|
[13]
|
K. Doll, 2004. CO adsorption on the Pt (111) surface: a comparison of a gradient corrected functional and a hybrid functional. Surface Science, 573(3):464-473. doi:10.1016/j.susc.2004.10.015
|
[14]
|
P. E. Bl?chl, 1994. Projector augmented-wave method. Physical Review B, 50 (24):17953–17979 .
doi:10.1103/PhysRevB.50.17953
|
[15]
|
J. P. Perdew, K. Burke, and M. Ernzerhof, 1996. Generalized Gradient Approximation Made Simple. Physical Review Letters, 77(18):3865-3868.
doi:10.1103/PhysRevLett.77.3865
|
[16]
|
J. P. Perdew, K. Burke, and M. Ernzerhof, 1997. Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)]. Physical Re-view Letters, 78 (7):1396-1396.doi:10.1103/PhysRevLett.78.1396
|
[17]
|
G. Kresse and J. Furthermüller, 1996. Efficiency of abinitio total energy calculations for metalsand semiconductors using a plane-wave basis set. Computational Materials Science, 6(1):15-50.
doi:10.1016/0927-0256(96)00008-0
|
[18]
|
G. Kresse and J. Joubert, 1999. From ultrasoft pseudopotentials to the projector augmented-wave method. Physical Review B 59 (3):1758–1775.doi:10.1103/PhysRevB.59.1758
|
[19]
|
D. Vanderbilt, 1994. Soft self-consistent pseudopotentials in a generalized eigenvalue formalism. Physical Review B, 41 (11):7892–7895. doi:10.1103/PhysRevB.41.7892
|
[20]
|
Thibault Charpentier, 2011. The PAW/GIPAW approach for computing NMR parameters: A new dimension added to NMR study of solids. Solid State Nuclear Magnetic Resonance, 40(1):1–20. doi:10.1016/j.ssnmr.2011.04.006
|
[21]
|
H. J. Monkhorst and J. D. Pack, 1976. Special points for Brillouin-zone integrations. Physical Review B, 13 (12):5188–5192. doi:10.1103/PhysRevB.13.5188
|
[22]
|
E. Frantzeskakis, S. Pons, A. Crepaldi, H. Brune, K. Kern, and M. Grioni, 2011. Ag-coverage-dependent symmetry of the electronic states of the Pt (111)-Ag-Bi interface: The ARPES view of a structural transition. Physical Review B, 84(24): 245443.
doi:10.1103/PhysRevB.84.245443
|
[23]
|
M. C. Payne, M. O. Teter, D. C. Allan, T. A. Arias, and J. D. Joannopoulos, 1992. Iterative minimization techniques for ab initio total-energy calculations: molecular dynamics and conjugate gradients. Re-views of Modern Physics, 64(4):1045–1097.doi:10.1103/RevModPhys.64.1045
|
[24]
|
Charles Kittel, 1976. Introduction to Solid State Physics (5th) . John Wiley & Sons, Inc., New York. p.31-31.
|
[25]
|
D. L. Adams, H. B. Nielsen, and M. A. Van Hove, 1979. Quantitative analysis of low-energy-electron diffraction: Application to Pt (111). Physical Review B, 20(12):4789–4806. doi:10.1103/PhysRevB.20.4789
|
[26]
|
N. Materer, U. Starke, A. Barbieri, R. D?ll, K. Heinz, M. A. van Hove, and G. A. Somorjai, 1995. Reliability of detailed LEED structural analyses: Pt (111) and Pt (111)-p(2×2)-O. Surface Science, 325(3):207-222.
doi:10.1016/0039-6028(94)00703-9
|
[27]
|
R. Feder, H. Pleyer, P. Baner, and N. Mueller, 1981. Spin polarization in low-energy electron diffraction: Surface analysis of Pt (111). Surface Science, 109(2):419-434.
doi:10.1016/0039-6028(81)90497-0
|
[28]
|
K. Hayek, H. Glassl, A. Gutmann, and H. Lenohard, 1985. A LEED analysis of the structure of Pt (111) ( × )R30?-S. Surface Science, 152-153(1):419-425.
doi:10.1016/0039-6028(85)90172-4
|
[29]
|
?. Crljen, P. Lazi?, D. ?ok?evic′, and R. Brako, 2003. Relaxation and reconstruction on (111) surfaces of Au, Pt, and Cu. Physical Review B, 68(19):195411.
doi:10.1103/PhysRevB.68.195411
|
[30]
|
Xiang-Ming Tao, Ming-Qiu Tan, Xin-Xin Zhao, Wen-Bin Chen, Xin Chen, Xue-Fu Shang, 2006. A density-functional study on the atomic geometry and adsorption of the Cu(100) c(2×2)/N Surface. Surface Science, 600(17) :3419-3426.doi:10.1016/j.susc.2006.06.032
|
[31]
|
M. Methfessel, D. Hennig, and M.Scheffler, 1991. Trends of the surface relaxations, surface energies, and work functions of the 4d transition metals. Physical Review B, 46(8):4816-4829. doi:10.1103/PhysRevB.46.4816
|
[32]
|
A. D. Becke, 1988. Density-functional exchange-energy approximation with correct asymptotic behavior. Physical Review A, 38(6):3098-3100.
doi:10.1103/PhysRevA.38.3098
|
[33]
|
Jorge Kohanoff, 2006. Electronic Structure Calculations for Solids and Molecules: Theory and Computational Methods. Cambridge University Press, Cambridge. p 77-84. doi.org/10.1017/CBO9780511755613
|
[34]
|
R. Colle and D. Salvetti, 1975. Approximate calculation of the correlation energy for the closed shells. Theor. Chim. Acta, 37(4):329-334. doi:10.1007/BF01028401
|
[35]
|
D. R. Lide, 2003-2004, CRC Handbook of Chemistry and Physics (84th). CRC Press, Boca Raton, p 12-124.
|
[36]
|
A. Gil, A. Clotet, J. M. Ricart, G. Kresse, M. García-Hernández, N. R?sch, and P. Sautet, 2003. Site preference of CO chemisorbed on Pt (111) from density functional calculations. Surface Science, 530(1-2):71-87.
doi:10.1016/S0039-6028(03)00307-8
|
[37]
|
Sally A. Wasileski, Michael J. Weaver, Marc T. M. Koper, 2001. Potential-dependent chemisorption of carbon monoxide on platinum electrodes: new insight from quantum-chemical calculations combined with vibrational spectroscopy. Journal of Electroanalytical Chemistry , 500(1-2): 344-355.
doi:10.1016/S0022-0728(00)00420-4
|
[38]
|
Francesc Illas, Franca Mele, Daniel Curulla, Anna Clotet, Josep M. Ricart, 1998. Electric field effects on the vibrational frequency and bonding mechanism of CO on Pt (111). Electrochimica Acta, 44(6-7): 1213-1279.
doi:10.1016/S0013-4686(98)00224-2
|
[39]
|
C. Klünker, M. Balden, S. Lehwald, W. Daum, 1996. CO stretching vibrations on Pt (111) and Pt(110) studied by sumfrequency generation. Surface Science, 360(1-3): 104-111. doi:10.1016/0039-6028(96)00638-3
|
[40]
|
M. ?. Pedersen, M. L. Bocquet, P. Sautet, E. Laegsgaard, I. Stensgaard, F. Besenbacher, 1999. CO on Pt (111): binding site assignment from the interplay between measured and calculated STM images. Chemical Physics Letters, 299 (5): 403-409.
doi:10.1016/S0009-2614(98)01318-9
|
[41]
|
W. Liu, Y. F. Zhu, J. S. Lian, and Q. Jiang, 2007. Adsorption of CO on Surfaces of 4d and 5d Elements in Group VIII. The Journal of Physical Chemistry C, 111(2):1005-1009. doi:10.1021/jp0661488
|
[42]
|
J. Tersoff and D. R. Hamann, 1983. Theory and Application for the Scanning Tunneling Microscope. Physical Review Letters, 50(25):1998-2001.
doi:10.1103/PhysRevLett.50.1998
|