Vibrational Study of the Hydrogen Adsorption on the Missing Row Platinum (110) Surface

Tran Thi Thu Hanh, Nguyen Van Hoa

Abstract


The hydrogen vibration was investigated to analyze its affect on the hydrogen adsorption on the missing row platinum surface (H/Pt(110)-(1\(\times\)2) model) in the ultrahigh vacuum (UHV). The density functional theory (DFT) combined with the approximation oscillation of the hydrogen atom on the surface was used. When the hydrogen coverage ΘH on the surface is 100% (\(\Theta\) = 1 ML), and taking into account the vibrational effect, the bond formed at the edge of the first layer (short bridge) is the most stable site. The vibrational effect on the adsorption model H/Pt(110)-(1\(\times\)2) is significant.

Keywords


Phonon, hydrogen adsorption, the missing row Pt(110)-(1x2) surface, the density functional theory DFT.

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N.M. Markovic, B.N. Grgur, P.N. Ross, J. Phys. Chem. B 101 (1997) 5405.

K. Christmann, G. Ertl, T. Pignet, Surf. Sci. 54 (1976) 365.

G. Jerkiewicz, Prog. Surf. Sci. 57 (1998) 137.

J.R. Engstrom, W. Tsai, W.H. Weinberg, Chem. Phys. 87 (1987) 3104.

A. Lasia, J. Electroanal. Chem. 562 (2004) 23.

N.M. Markovic, P.N. Ross, Surf. Sci. Rep. 45 (2002) 117.

T.T.T. Hanh, Y. Takimoto, O. Sugino, Surf. Sci. 625 (2014) 104.

H. Kita, J. Mol. Catal. A: Chem. 199 (2003) 161.

K. Kunimatsu, T. Senzaki, G. Samjeske, M. Tsushima, M. Osawa, Electrochim. Acta 52 (2007) 5715.

C.R. Henry, Surf. Sci. Rep. 31 (1998) 231.

S. Dahl, A. Logadóttir, R.C. Egeberg, J.H. Larsen, I. Chorkendorff, E. Törnqvist, J.K. Nørskov, Phys. Rev. Lett. 83 (1999) 1814.

B. Hvolbaek, T.V.W. Janssens, B.C. Clausen, H. Falsig, C.H. Christensen, J.K. Nørskov, Nano Today 2 (2007) 14.

S. Gudmundsdóttir, W. Tang, G. Henkelman, H. Jónsson, E. Skúlason, J. Chem. Phys. 137 (2012) 164705.

E. Skúlason, G.S. Karlberg, J. Rossmeisl, T. Bligaard, J. Greeley, H. Jónsson, J.K. Nørskov, Phys. Chem. Chem. Phys. 9 (2007) 3241.

G. Anger, H.F. Berger, M. Luger, S. Feistritzer, A. Winkler, K.D. Rendulic, Surf. Sci. 219 (1989) L583.

C.S. Shern, Surf. Sci. 264 (1992) 171.

M. Minca, S. Penner, E. Dona, A. Menzel, E. Bertel, V. Brouet, J. Redinger, New J. Phys. 9 (2007) 386.

Z. Zhang, M. Minca, C. Deisl, T. Loerting, A. Menzel, E. Bertel, Phys. Rev. B: Condens. Matter Mater. Phys. 70 (2004) 121401.

J.M. Soler, E. Artacho, J.D. Gale, A. García, J. Junquera, P. Ordejón, D. Sánchez-Portal, J. Phys.: Condens. Matter 14 (2002) 2745.

T.T.T. Hanh, N. T. T. Hang, J. Computational Materials Science 138 (2017) 295.

P. Ordejón, E. Artacho, J.M. Soler, Phys. Rev. B 53 (1996) R10441.

J.P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 77 (1996) 3865; J.P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 78 (1997) 1396.

S. Gudmundsdóttir, E. Skúlason, K.J. Weststrate, L. Juurlink, H. Jónsson, Phys. Chem. Chem. Phys. 15 (2013) 6323.

Y. Waseda, K. Hirata, M. Ohtani, J. High Temp. High Press. 7 (1975) 221.

H. Ogasawara, M. Ito, Chem. Phys. Lett. 221 (1994) 213

Y. Yu, J. Yang, C. Hao, X. Zhao, Z. Wang, J. of computational and theoretical Nanoscience 6 (2009) 439.

I. Hamada, Y. Morikawa, J. Phys. Chem. C 112 (2008) 10889.

S. Hong, T.S. Rahman, R. Heid, K.P. Bohnen, Phys. Rev. B 71 (2005) 245409.

W.A. Dino, H. Kasaia, A. Okiji, Progress in Surface Science 63 (2000) 63-134.

A.V. Kumar, H. Jobic, S.K. Bhatia, J. Phys. Chem. B 110 (2006)16666-16671.

W. Stenzel, S. A. Jahnke, Y. Song, and H. Conrad, Prog. Surf. Sci. 35 (1990) 159-160.




DOI: https://doi.org/10.15625/0868-3166/30/1/13904 Display counter: Abstract : 231 views. PDF : 124 views.

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