First principles study of adsorption of metals on Pt(1 1 1) surface
作者： Igor Pašti , Slavko Mentus
DOI: 10.1016/J.JALLCOM.2010.03.046
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摘要: Abstract The adsorption of d-metals (Pd, Pt, Cu, Au) and p-metals (Sn, Pb, Bi) on the Pt(1 1 1) surface was studied by means DFT calculations. fcc sites were found to be preferential ones. trends determined basis strength substrate–adsorbate adsorbate–adsorbate interactions. course work function with change in coverage adsorbed metal differs for d- p-metals. modification electronic structure atoms caused analyzed difference projected d-density states. differences between alloying, leading finally same monolayer/substrate system, discussed.
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sci-hub.se 参考文章(57)
Nenad Markovic, P. N. Ross, Effect of anions on the underpotential deposition of copper on platinum(111) and platinum(100) surfaces Langmuir. ,vol. 9, pp. 580- 590 ,(1993) , 10.1021/LA00026A037
R.L. Borup, D.E. Sauer, E.M. Stuve, An ex situ study of electrodeposited lead on platinum (111): II. vacuum characterization and thermal desorption of the emersed adlayer Surface Science. ,vol. 293, pp. 27- 34 ,(1993) , 10.1016/0039-6028(93)90239-G
A Ruban, B Hammer, P Stoltze, H.L Skriver, J.K Nørskov, Surface electronic structure and reactivity of transition and noble metals1Communication presented at the First Francqui Colloquium, Brussels, 19–20 February 1996.1 Journal of Molecular Catalysis A: Chemical. ,vol. 115, pp. 421- 429 ,(1997) , 10.1016/S1381-1169(96)00348-2
Bruce C. Schardt, John L. Stickney, Donald A. Stern, Andrzej Wieckowski, Donald C. Zapien, Arthur T. Hubbard, Electrodeposition of Pb onto Pt(111) in aqueous chloride solutions . Studies by LEED and Auger spectroscopy Surface Science. ,vol. 175, pp. 520- 534 ,(1986) , 10.1016/0039-6028(86)90010-5
Marc T. M. Koper, Fuel cell catalysis: a surface science approach. Fuel cell catalysis: a surface science approach.. ,(2008)
E. Leiva, Recent developments in the theory of metal upd Electrochimica Acta. ,vol. 41, pp. 2185- 2206 ,(1996) , 10.1016/0013-4686(96)00050-3
R. Gómez, H.S. Yee, G.M. Bommarito, J.M. Feliu, H.D. Abrun˜a, Anion effects and the mechanism of Cu UPD on Pt(111): X-ray and electrochemical studies Surface Science. ,vol. 335, pp. 101- 109 ,(1995) , 10.1016/0039-6028(95)00453-X
Paul S. Bagus, Francesc Illas, Theoretical analysis of the bonding of oxygen to Cu(100) Physical Review B. ,vol. 42, pp. 10852- 10857 ,(1990) , 10.1103/PHYSREVB.42.10852
Xiao Li, Andrew A. Gewirth, Peroxide electroreduction on bi-modified Au surfaces: vibrational spectroscopy and density functional calculations. Journal of the American Chemical Society. ,vol. 125, pp. 7086- 7099 ,(2003) , 10.1021/JA034125Q
Jose A. Rodriguez, Mark Kuhn, ELECTRONIC AND CHEMICAL PROPERTIES OF AG/PT(111) AND CU/PT(111) SURFACES :IMPORTANCE OF CHANGES IN THE D ELECTRON POPULATIONS The Journal of Physical Chemistry. ,vol. 98, pp. 11251- 11255 ,(1994) , 10.1021/J100095A004