Tunability of the optical absorption in small silver cluster-polymer hybrid systems.
We have calculated the absorption characteristics of different hybrid systems consisting of Ag, Ag(2), or Ag(3) atomic clusters and poly(methacrylic acid) using the time-dependent density-functional theory. The polymer is found to have an extensive structural-dependency on the spectral patterns of the hybrid systems relative to the bare clusters. The absorption spectrum can be "tuned" to the visible range for hybrid systems with an odd number of electrons per silver cluster, whereas for hybrid systems comprising an even number of electrons per silver cluster, the leading absorption edge can be shifted up to approximately 4.5 eV. The results give theoretical support to the experimental observations on the absorption in the visible range in metal cluster-polymer hybrid structures.
Koponen
Laura
L
Department of Applied Physics, Aalto University School of Science and Technology, P.O. Box 11100, FIN-00076 Aalto, Finland.
Tunturivuori
Lasse O
LO
Puska
Martti J
MJ
Hancock
Y
Y
D003198:Computer Simulation; D004583:Electrons; D009942:Organometallic Compounds / Q000737:chemistry*; D011109:Polymethacrylic Acids / Q000737:chemistry*; D011789:Quantum Theory; D012834:Silver / Q000737:chemistry*; D013997:Time Factors
D009942:Organometallic Compounds; D011109:Polymethacrylic Acids; C030613:polymethacrylic acid; D012834:Silver