Tunability of the optical absorption in small silver cluster-polymer hybrid systems

Laura Koponen; Lasse O. Tunturivuori; Martti J. Puska; Y. Hancock

doi:10.1063/1.3425623

Tunability of the optical absorption in small silver cluster-polymer hybrid systems

Laura Koponen, Lasse O. Tunturivuori, Martti J. Puska, Y. Hancock

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Abstract

We have calculated the absorption characteristics of different hybrid systems consisting of Ag, Ag2, or Ag3 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 ∼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.

Original language	English
Article number	214301
Pages (from-to)	1-8
Number of pages	8
Journal	Journal of Chemical Physics
Volume	132
Issue number	21
DOIs	https://doi.org/10.1063/1.3425623
Publication status	Published - 2010
MoE publication type	A1 Journal article-refereed

Keywords

optical absorption
silver-polymer clusters
time-dependent density-functional theory

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@article{08e5c4a8268b40f192d9532fafe5133b,

title = "Tunability of the optical absorption in small silver cluster-polymer hybrid systems",

abstract = "We have calculated the absorption characteristics of different hybrid systems consisting of Ag, Ag2, or Ag3 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 ∼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.",

keywords = "optical absorption, silver-polymer clusters, time-dependent density-functional theory, optical absorption, silver-polymer clusters, time-dependent density-functional theory, optical absorption, silver-polymer clusters, time-dependent density-functional theory",

author = "Laura Koponen and Tunturivuori, {Lasse O.} and Puska, {Martti J.} and Y. Hancock",

year = "2010",

doi = "10.1063/1.3425623",

language = "English",

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journal = "Journal of Chemical Physics",

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publisher = "American Institute of Physics",

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AU - Koponen, Laura

AU - Tunturivuori, Lasse O.

AU - Puska, Martti J.

AU - Hancock, Y.

PY - 2010

Y1 - 2010

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AB - We have calculated the absorption characteristics of different hybrid systems consisting of Ag, Ag2, or Ag3 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 ∼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.

KW - optical absorption

KW - silver-polymer clusters

KW - time-dependent density-functional theory

KW - optical absorption

KW - silver-polymer clusters

KW - time-dependent density-functional theory

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KW - time-dependent density-functional theory

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