Coordination to transition metal surfaces : a theoretical study

R.A. Santen, van

Coordination to transition metal surfaces : a theoretical study

R.A. Santen, van

Inorganic Materials & Catalysis

Onderzoeksoutput: Hoofdstuk in Boek/Rapport/Congresprocedure › Conferentiebijdrage › Academic › peer review

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A theoretical framework is developed that describes the chemisorption of CO to transition metal surfaces analogous to the HOMO-LUMO concept of MO theory. An explanation is given for the exptl. observation that CO adsorbs on top at the (111), face of Pt, but bridge at the (111) face of Ni. One is due to differences in the interaction with the d-valence electrons. Adsorption of K changes the relative position of the adsorbate levels with respect to the Fermi level of the metal due to the pos. charge of adsorbed K. This changes the balance of the donating and back donating contributions to the adsorption energy of CO and tends to favor bridge coordination on Pt as found exptl. The factors detg. top or multiple adsorption of H were analyzed.

Originele taal-2	Engels
Titel	Impact of surface science on catalysis. Structure-selectivity/activity correlations. New routes for catalyst synthesis
Plaats van productie	Weinheim
Uitgeverij	Verlag Chemie
Pagina's	97-108
ISBN van geprinte versie	3-527-26231-8
Status	Gepubliceerd - 1985
Evenement	8th International Congress on Catalysis (8th ICC), July 2-6, 1984, West Berlin, Germany - West Berlin, Duitsland Duur: 2 jul 1984 → 6 jul 1984

Congres

Congres	8th International Congress on Catalysis (8th ICC), July 2-6, 1984, West Berlin, Germany
Verkorte titel	8th ICC
Land	Duitsland
Stad	West Berlin
Periode	2/07/84 → 6/07/84
Ander	ICC : International Congress on Catalysis ; 8 (Berlin, West) : 1994.07.02-06

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title = "Coordination to transition metal surfaces : a theoretical study",

abstract = "A theoretical framework is developed that describes the chemisorption of CO to transition metal surfaces analogous to the HOMO-LUMO concept of MO theory. An explanation is given for the exptl. observation that CO adsorbs on top at the (111), face of Pt, but bridge at the (111) face of Ni. One is due to differences in the interaction with the d-valence electrons. Adsorption of K changes the relative position of the adsorbate levels with respect to the Fermi level of the metal due to the pos. charge of adsorbed K. This changes the balance of the donating and back donating contributions to the adsorption energy of CO and tends to favor bridge coordination on Pt as found exptl. The factors detg. top or multiple adsorption of H were analyzed.",

author = "{Santen, van}, R.A.",

year = "1985",

language = "English",

isbn = "3-527-26231-8",

pages = "97--108",

booktitle = "Impact of surface science on catalysis. Structure-selectivity/activity correlations. New routes for catalyst synthesis",

publisher = "Verlag Chemie",

address = "Germany",

note = "8th International Congress on Catalysis (8th ICC), July 2-6, 1984, West Berlin, Germany, 8th ICC ; Conference date: 02-07-1984 Through 06-07-1984",

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TY - GEN

T1 - Coordination to transition metal surfaces : a theoretical study

AU - Santen, van, R.A.

PY - 1985

Y1 - 1985

N2 - A theoretical framework is developed that describes the chemisorption of CO to transition metal surfaces analogous to the HOMO-LUMO concept of MO theory. An explanation is given for the exptl. observation that CO adsorbs on top at the (111), face of Pt, but bridge at the (111) face of Ni. One is due to differences in the interaction with the d-valence electrons. Adsorption of K changes the relative position of the adsorbate levels with respect to the Fermi level of the metal due to the pos. charge of adsorbed K. This changes the balance of the donating and back donating contributions to the adsorption energy of CO and tends to favor bridge coordination on Pt as found exptl. The factors detg. top or multiple adsorption of H were analyzed.

AB - A theoretical framework is developed that describes the chemisorption of CO to transition metal surfaces analogous to the HOMO-LUMO concept of MO theory. An explanation is given for the exptl. observation that CO adsorbs on top at the (111), face of Pt, but bridge at the (111) face of Ni. One is due to differences in the interaction with the d-valence electrons. Adsorption of K changes the relative position of the adsorbate levels with respect to the Fermi level of the metal due to the pos. charge of adsorbed K. This changes the balance of the donating and back donating contributions to the adsorption energy of CO and tends to favor bridge coordination on Pt as found exptl. The factors detg. top or multiple adsorption of H were analyzed.

M3 - Conference contribution

SN - 3-527-26231-8

SP - 97

EP - 108

BT - Impact of surface science on catalysis. Structure-selectivity/activity correlations. New routes for catalyst synthesis

PB - Verlag Chemie

CY - Weinheim

T2 - 8th International Congress on Catalysis (8th ICC), July 2-6, 1984, West Berlin, Germany

Y2 - 2 July 1984 through 6 July 1984

ER -