TY - JOUR
T1 - Adsorption of Cu 4, Ag 4 and Au 4 particles on the regular MgO(0 0 1) surface
T2 - A density functional study using embedded cluster models
AU - Inntam, Chan
AU - Moskaleva, Lyudmila V.
AU - Yudanov, Ilya V.
AU - Neyman, Konstantin M.
AU - Rösch, Notker
N1 - Funding Information:
This Letter was supported by Deutsche Forschungsgemeinschaft, Fonds der Chemischen Industrie (Germany), and the Spanish Ministry of Science and Technology.
PY - 2006/1/10
Y1 - 2006/1/10
N2 - Cu 4, Ag 4, and Au 4 species adsorbed on the regular MgO(0 0 1) surface are studied using a density functional method and cluster models embedded in an elastic polarizable environment. The structure of the coinage metal tetramers is only slightly distorted by adsorption on the oxide surface compared to the rhombic-planar arrangement in the gas phase. The most stable adsorption complexes of all three systems feature upright metal planar particles with the M 4 moiety orthogonal to the surface and two metal atoms attached to surface oxygen anions. Au 4 and Cu 4 exhibit substantially stronger binding to the surface than Ag 4.
AB - Cu 4, Ag 4, and Au 4 species adsorbed on the regular MgO(0 0 1) surface are studied using a density functional method and cluster models embedded in an elastic polarizable environment. The structure of the coinage metal tetramers is only slightly distorted by adsorption on the oxide surface compared to the rhombic-planar arrangement in the gas phase. The most stable adsorption complexes of all three systems feature upright metal planar particles with the M 4 moiety orthogonal to the surface and two metal atoms attached to surface oxygen anions. Au 4 and Cu 4 exhibit substantially stronger binding to the surface than Ag 4.
UR - http://www.scopus.com/inward/record.url?scp=29444434729&partnerID=8YFLogxK
U2 - 10.1016/j.cplett.2005.10.080
DO - 10.1016/j.cplett.2005.10.080
M3 - Article
AN - SCOPUS:29444434729
SN - 0009-2614
VL - 417
SP - 515
EP - 520
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 4-6
ER -