메뉴 건너뛰기




Volumn 546, Issue 1, 2003, Pages 12-26

Density functional theory studies of sulfur binding on Pd, Cu and Ag and their alloys

Author keywords

Adatoms; Alloys; Chemisorption; Density functional calculations; Low index single crystal surfaces; Metallic surfaces; Sulphur; Surface electronic phenomena (work function, surface potential, surface states, etc.)

Indexed keywords

ADSORPTION; CHEMISORPTION; COPPER ALLOYS; PROBABILITY DENSITY FUNCTION; SINGLE CRYSTALS; SULFUR;

EID: 0142248317     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2003.08.053     Document Type: Article
Times cited : (107)

References (80)
  • 19
    • 0001862436 scopus 로고    scopus 로고
    • Lewis F. The Palladium Hydrogen System. 1967;Academic Press, London, Uemiya S. Sep. Purif. Methods. 28:1999;51.
    • (1999) Sep. Purif. Methods , vol.28 , pp. 51
    • Uemiya, S.1
  • 20
    • 0001326454 scopus 로고
    • Piper J. J. Appl. Phys. 37:1966;715 Knapton A.G. Platinum Met. Rev. 21:1977;44 Nam S.-E., Lee K.-H. J. Membr. Sci. 192:2001;177 Graham T. Proc. R. Soc. 16:1868;422 Weiss A., Ramaprabhu S., Rajalakshmi N. Z. Phys. Chem. 199:1997;165 Uemiya S. Sep. Purif. Methods. 28:1999;51.
    • (1966) J. Appl. Phys. , vol.37 , pp. 715
    • Piper, J.1
  • 21
    • 0017483007 scopus 로고
    • Piper J. J. Appl. Phys. 37:1966;715 Knapton A.G. Platinum Met. Rev. 21:1977;44 Nam S.-E., Lee K.-H. J. Membr. Sci. 192:2001;177 Graham T. Proc. R. Soc. 16:1868;422 Weiss A., Ramaprabhu S., Rajalakshmi N. Z. Phys. Chem. 199:1997;165 Uemiya S. Sep. Purif. Methods. 28:1999;51.
    • (1977) Platinum Met. Rev. , vol.21 , pp. 44
    • Knapton, A.G.1
  • 22
    • 0035888430 scopus 로고    scopus 로고
    • Piper J. J. Appl. Phys. 37:1966;715 Knapton A.G. Platinum Met. Rev. 21:1977;44 Nam S.-E., Lee K.-H. J. Membr. Sci. 192:2001;177 Graham T. Proc. R. Soc. 16:1868;422 Weiss A., Ramaprabhu S., Rajalakshmi N. Z. Phys. Chem. 199:1997;165 Uemiya S. Sep. Purif. Methods. 28:1999;51.
    • (2001) J. Membr. Sci. , vol.192 , pp. 177
    • Nam, S.-E.1    Lee, K.-H.2
  • 23
    • 0001326454 scopus 로고
    • Piper J. J. Appl. Phys. 37:1966;715 Knapton A.G. Platinum Met. Rev. 21:1977;44 Nam S.-E., Lee K.-H. J. Membr. Sci. 192:2001;177 Graham T. Proc. R. Soc. 16:1868;422 Weiss A., Ramaprabhu S., Rajalakshmi N. Z. Phys. Chem. 199:1997;165 Uemiya S. Sep. Purif. Methods. 28:1999;51.
    • (1868) Proc. R. Soc. , vol.16 , pp. 422
    • Graham, T.1
  • 24
    • 0000579318 scopus 로고    scopus 로고
    • Piper J. J. Appl. Phys. 37:1966;715 Knapton A.G. Platinum Met. Rev. 21:1977;44 Nam S.-E., Lee K.-H. J. Membr. Sci. 192:2001;177 Graham T. Proc. R. Soc. 16:1868;422 Weiss A., Ramaprabhu S., Rajalakshmi N. Z. Phys. Chem. 199:1997;165 Uemiya S. Sep. Purif. Methods. 28:1999;51.
    • (1997) Z. Phys. Chem. , vol.199 , pp. 165
    • Weiss, A.1    Ramaprabhu, S.2    Rajalakshmi, N.3
  • 25
    • 0001862436 scopus 로고    scopus 로고
    • Piper J. J. Appl. Phys. 37:1966;715 Knapton A.G. Platinum Met. Rev. 21:1977;44 Nam S.-E., Lee K.-H. J. Membr. Sci. 192:2001;177 Graham T. Proc. R. Soc. 16:1868;422 Weiss A., Ramaprabhu S., Rajalakshmi N. Z. Phys. Chem. 199:1997;165 Uemiya S. Sep. Purif. Methods. 28:1999;51.
    • (1999) Sep. Purif. Methods , vol.28 , pp. 51
    • Uemiya, S.1
  • 27
    • 0005630114 scopus 로고
    • US Patent 3,350,845
    • D.L. McKinley, Metal alloy for hydrogen separation and purification, US Patent 3,350,845, 1967 D.J. Edlund, Advanced coal-fired power systems review meeting, Morgantown, WV, 1996 D.J. Edlund, Composite hydrogen separation element and module, Europe Patent EP 783,919, 1997.
    • (1967) Metal Alloy for Hydrogen Separation and Purification
    • McKinley, D.L.1
  • 28
    • 0005612933 scopus 로고    scopus 로고
    • Morgantown, WV
    • D.L. McKinley, Metal alloy for hydrogen separation and purification, US Patent 3,350,845, 1967 D.J. Edlund, Advanced coal-fired power systems review meeting, Morgantown, WV, 1996 D.J. Edlund, Composite hydrogen separation element and module, Europe Patent EP 783,919, 1997.
    • (1996) Advanced Coal-fired Power Systems Review Meeting
    • Edlund, D.J.1
  • 29
    • 0005630124 scopus 로고    scopus 로고
    • Europe Patent EP 783,919
    • D.L. McKinley, Metal alloy for hydrogen separation and purification, US Patent 3,350,845, 1967 D.J. Edlund, Advanced coal-fired power systems review meeting, Morgantown, WV, 1996 D.J. Edlund, Composite hydrogen separation element and module, Europe Patent EP 783,919, 1997.
    • (1997) Composite Hydrogen Separation Element and Module
    • Edlund, D.J.1
  • 32
    • 0000940354 scopus 로고
    • Langeveld A.D., Hendrickx H.A.C.M., Nieuwenhuys B.E. Thin Solid Films. 109:1983;179 Noordermeer A., Kok G.A., Nieuwenhuys B.E. Surf. Sci. 172:1986;349 Ruban A.V., Skriver H.L., Nørskov J.K. Phys. Rev. B. 59:1999;15990.
    • (1986) Surf. Sci. , vol.172 , pp. 349
    • Noordermeer, A.1    Kok, G.A.2    Nieuwenhuys, B.E.3
  • 33
    • 0000295103 scopus 로고    scopus 로고
    • Langeveld A.D., Hendrickx H.A.C.M., Nieuwenhuys B.E. Thin Solid Films. 109:1983;179 Noordermeer A., Kok G.A., Nieuwenhuys B.E. Surf. Sci. 172:1986;349 Ruban A.V., Skriver H.L., Nørskov J.K. Phys. Rev. B. 59:1999;15990.
    • (1999) Phys. Rev. B , vol.59 , pp. 15990
    • Ruban, A.V.1    Skriver, H.L.2    Nørskov, J.K.3
  • 35
    • 0002768580 scopus 로고    scopus 로고
    • Delbecq F., Sautet P. Chem. Phys. Lett. 302:1999;91 Delbecq F., Sautet P. Phys. Rev. B. 59:1999;5142 Pallassana V., Neurock M., Hansen L.B., Hammer B., Nørskov J. Phys. Rev. B. 60:1999;6146 Hirschl R., Jeanvoine Y., Kresse G., Hafner J. Surf. Sci. 482-485:2001;712 Loffreda D., Delbecq F., Simon D., Sautet P. J. Phys. Chem. B. 105:2001;3027 Pallasana V., Neurock M. J. Catal. 209:2002;289.
    • (1999) Chem. Phys. Lett. , vol.302 , pp. 91
    • Delbecq, F.1    Sautet, P.2
  • 36
    • 0001420508 scopus 로고    scopus 로고
    • Delbecq F., Sautet P. Chem. Phys. Lett. 302:1999;91 Delbecq F., Sautet P. Phys. Rev. B. 59:1999;5142 Pallassana V., Neurock M., Hansen L.B., Hammer B., Nørskov J. Phys. Rev. B. 60:1999;6146 Hirschl R., Jeanvoine Y., Kresse G., Hafner J. Surf. Sci. 482-485:2001;712 Loffreda D., Delbecq F., Simon D., Sautet P. J. Phys. Chem. B. 105:2001;3027 Pallasana V., Neurock M. J. Catal. 209:2002;289.
    • (1999) Phys. Rev. B , vol.59 , pp. 5142
    • Delbecq, F.1    Sautet, P.2
  • 37
    • 0001487210 scopus 로고    scopus 로고
    • Delbecq F., Sautet P. Chem. Phys. Lett. 302:1999;91 Delbecq F., Sautet P. Phys. Rev. B. 59:1999;5142 Pallassana V., Neurock M., Hansen L.B., Hammer B., Nørskov J. Phys. Rev. B. 60:1999;6146 Hirschl R., Jeanvoine Y., Kresse G., Hafner J. Surf. Sci. 482-485:2001;712 Loffreda D., Delbecq F., Simon D., Sautet P. J. Phys. Chem. B. 105:2001;3027 Pallasana V., Neurock M. J. Catal. 209:2002;289.
    • (1999) Phys. Rev. B , vol.60 , pp. 6146
    • Pallassana, V.1    Neurock, M.2    Hansen, L.B.3    Hammer, B.4    Nørskov, J.5
  • 38
    • 0035919095 scopus 로고    scopus 로고
    • Delbecq F., Sautet P. Chem. Phys. Lett. 302:1999;91 Delbecq F., Sautet P. Phys. Rev. B. 59:1999;5142 Pallassana V., Neurock M., Hansen L.B., Hammer B., Nørskov J. Phys. Rev. B. 60:1999;6146 Hirschl R., Jeanvoine Y., Kresse G., Hafner J. Surf. Sci. 482-485:2001;712 Loffreda D., Delbecq F., Simon D., Sautet P. J. Phys. Chem. B. 105:2001;3027 Pallasana V., Neurock M. J. Catal. 209:2002;289.
    • (2001) Surf. Sci. , vol.482-485 , pp. 712
    • Hirschl, R.1    Jeanvoine, Y.2    Kresse, G.3    Hafner, J.4
  • 39
    • 0037134602 scopus 로고    scopus 로고
    • Delbecq F., Sautet P. Chem. Phys. Lett. 302:1999;91 Delbecq F., Sautet P. Phys. Rev. B. 59:1999;5142 Pallassana V., Neurock M., Hansen L.B., Hammer B., Nørskov J. Phys. Rev. B. 60:1999;6146 Hirschl R., Jeanvoine Y., Kresse G., Hafner J. Surf. Sci. 482-485:2001;712 Loffreda D., Delbecq F., Simon D., Sautet P. J. Phys. Chem. B. 105:2001;3027 Pallasana V., Neurock M. J. Catal. 209:2002;289.
    • (2001) J. Phys. Chem. B , vol.105 , pp. 3027
    • Loffreda, D.1    Delbecq, F.2    Simon, D.3    Sautet, P.4
  • 40
    • 0037173402 scopus 로고    scopus 로고
    • Delbecq F., Sautet P. Chem. Phys. Lett. 302:1999;91 Delbecq F., Sautet P. Phys. Rev. B. 59:1999;5142 Pallassana V., Neurock M., Hansen L.B., Hammer B., Nørskov J. Phys. Rev. B. 60:1999;6146 Hirschl R., Jeanvoine Y., Kresse G., Hafner J. Surf. Sci. 482-485:2001;712 Loffreda D., Delbecq F., Simon D., Sautet P. J. Phys. Chem. B. 105:2001;3027 Pallasana V., Neurock M. J. Catal. 209:2002;289.
    • (2002) J. Catal. , vol.209 , pp. 289
    • Pallasana, V.1    Neurock, M.2
  • 42
    • 27744460065 scopus 로고
    • Kresse G., Hafner J. Phys. Rev. B. 49:1994;14251 Kresse G., Fürthmuller J. Phys. Rev. B. 54:1996;11169.
    • (1994) Phys. Rev. B , vol.49 , pp. 14251
    • Kresse, G.1    Hafner, J.2
  • 44
    • 18144378706 scopus 로고
    • Perdew J.P., Wang Y. Phys. Rev. B. 33:1986;8800 Perdew J.P., Chevary J.A., Vosko S.H., Jackson K.A., Pederson M., Singh D.J., Fiolhais C. Phys. Rev. B. 46:1992;6671.
    • (1986) Phys. Rev. B , vol.33 , pp. 8800
    • Perdew, J.P.1    Wang, Y.2
  • 46
    • 20544463457 scopus 로고
    • Vanderbilt D.H. Phys. Rev. B. 41:1990;7892 Kresse G., Hafner J. J. Condens. Phys. Matter. 6:1994;8245.
    • (1990) Phys. Rev. B , vol.41 , pp. 7892
    • Vanderbilt, D.H.1
  • 55
    • 0039588160 scopus 로고
    • Maca F., Scheffler M., Berndt W. Surf. Sci. 160:1985;467 Grillo M.E., Stampfl C., Berndt W. Surf. Sci. 317:1994;84 Dhanak V.R., Shard A.G., Cowie B.C.C., Santoni A. Surf. Sci. 410:1998;321.
    • (1985) Surf. Sci. , vol.160 , pp. 467
    • Maca, F.1    Scheffler, M.2    Berndt, W.3
  • 56
    • 0028499891 scopus 로고
    • Maca F., Scheffler M., Berndt W. Surf. Sci. 160:1985;467 Grillo M.E., Stampfl C., Berndt W. Surf. Sci. 317:1994;84 Dhanak V.R., Shard A.G., Cowie B.C.C., Santoni A. Surf. Sci. 410:1998;321.
    • (1994) Surf. Sci. , vol.317 , pp. 84
    • Grillo, M.E.1    Stampfl, C.2    Berndt, W.3
  • 57
    • 0032138865 scopus 로고    scopus 로고
    • Maca F., Scheffler M., Berndt W. Surf. Sci. 160:1985;467 Grillo M.E., Stampfl C., Berndt W. Surf. Sci. 317:1994;84 Dhanak V.R., Shard A.G., Cowie B.C.C., Santoni A. Surf. Sci. 410:1998;321.
    • (1998) Surf. Sci. , vol.410 , pp. 321
    • Dhanak, V.R.1    Shard, A.G.2    Cowie, B.C.C.3    Santoni, A.4
  • 59
    • 0346645215 scopus 로고
    • Domange J.L., Ouder J. Surf. Sci. 11:1968;124 Perdereavand M., Ouder J. Surf. Sci. 20:1970;80.
    • (1968) Surf. Sci. , vol.11 , pp. 124
    • Domange, J.L.1    Ouder, J.2
  • 70
    • 0036870771 scopus 로고    scopus 로고
    • Løvvik O.M., Olsen R.A. J. Alloys Compd. 330:2002;332 Ke X., Kramer G.J. Phys. Rev. B. 66:2002;184304.
    • (2002) Phys. Rev. B , vol.66 , pp. 184304
    • Ke, X.1    Kramer, G.J.2
  • 73
    • 0004674615 scopus 로고
    • Hammer B., Scheffler M. Phys. Rev. Lett. 74:1995;3487 Liu P., Nørskov J.K. Phys. Chem. Chem. Phys. 3:2001;3814 Hammer B., Nørskov J.K. Surf. Sci. 343:1995;211 Hammer B., Morikawa Y., Nørskov J.K. Phys. Rev. Lett. 76:1996;2141 Hammer B., Nielsen O.H., Nørskov J.K. Catal. Lett. 46:1997;31 Hammer B., Nørskov J.K. Adv. Catal. 45:2000;71.
    • (1995) Phys. Rev. Lett. , vol.74 , pp. 3487
    • Hammer, B.1    Scheffler, M.2
  • 74
    • 0034741030 scopus 로고    scopus 로고
    • Hammer B., Scheffler M. Phys. Rev. Lett. 74:1995;3487 Liu P., Nørskov J.K. Phys. Chem. Chem. Phys. 3:2001;3814 Hammer B., Nørskov J.K. Surf. Sci. 343:1995;211 Hammer B., Morikawa Y., Nørskov J.K. Phys. Rev. Lett. 76:1996;2141 Hammer B., Nielsen O.H., Nørskov J.K. Catal. Lett. 46:1997;31 Hammer B., Nørskov J.K. Adv. Catal. 45:2000;71.
    • (2001) Phys. Chem. Chem. Phys. , vol.3 , pp. 3814
    • Liu, P.1    Nørskov, J.K.2
  • 75
    • 0029512476 scopus 로고
    • Hammer B., Scheffler M. Phys. Rev. Lett. 74:1995;3487 Liu P., Nørskov J.K. Phys. Chem. Chem. Phys. 3:2001;3814 Hammer B., Nørskov J.K. Surf. Sci. 343:1995;211 Hammer B., Morikawa Y., Nørskov J.K. Phys. Rev. Lett. 76:1996;2141 Hammer B., Nielsen O.H., Nørskov J.K. Catal. Lett. 46:1997;31 Hammer B., Nørskov J.K. Adv. Catal. 45:2000;71.
    • (1995) Surf. Sci. , vol.343 , pp. 211
    • Hammer, B.1    Nørskov, J.K.2
  • 76
    • 3342922611 scopus 로고    scopus 로고
    • Hammer B., Scheffler M. Phys. Rev. Lett. 74:1995;3487 Liu P., Nørskov J.K. Phys. Chem. Chem. Phys. 3:2001;3814 Hammer B., Nørskov J.K. Surf. Sci. 343:1995;211 Hammer B., Morikawa Y., Nørskov J.K. Phys. Rev. Lett. 76:1996;2141 Hammer B., Nielsen O.H., Nørskov J.K. Catal. Lett. 46:1997;31 Hammer B., Nørskov J.K. Adv. Catal. 45:2000;71.
    • (1996) Phys. Rev. Lett. , vol.76 , pp. 2141
    • Hammer, B.1    Morikawa, Y.2    Nørskov, J.K.3
  • 77
    • 0002306679 scopus 로고    scopus 로고
    • Hammer B., Scheffler M. Phys. Rev. Lett. 74:1995;3487 Liu P., Nørskov J.K. Phys. Chem. Chem. Phys. 3:2001;3814 Hammer B., Nørskov J.K. Surf. Sci. 343:1995;211 Hammer B., Morikawa Y., Nørskov J.K. Phys. Rev. Lett. 76:1996;2141 Hammer B., Nielsen O.H., Nørskov J.K. Catal. Lett. 46:1997;31 Hammer B., Nørskov J.K. Adv. Catal. 45:2000;71.
    • (1997) Catal. Lett. , vol.46 , pp. 31
    • Hammer, B.1    Nielsen, O.H.2    Nørskov, J.K.3
  • 78
    • 33645508964 scopus 로고    scopus 로고
    • Hammer B., Scheffler M. Phys. Rev. Lett. 74:1995;3487 Liu P., Nørskov J.K. Phys. Chem. Chem. Phys. 3:2001;3814 Hammer B., Nørskov J.K. Surf. Sci. 343:1995;211 Hammer B., Morikawa Y., Nørskov J.K. Phys. Rev. Lett. 76:1996;2141 Hammer B., Nielsen O.H., Nørskov J.K. Catal. Lett. 46:1997;31 Hammer B., Nørskov J.K. Adv. Catal. 45:2000;71.
    • (2000) Adv. Catal. , vol.45 , pp. 71
    • Hammer, B.1    Nørskov, J.K.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.