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ファイル | 記述 | サイズ | フォーマット | |
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j.ccr.2013.08.035.pdf | 2.41 MB | Adobe PDF | 見る/開く |
タイトル: | Time-domain ab initio modeling of excitation dynamics in quantum dots |
著者: | Neukirch, Amanda J. Hyeon-Deuk, Kim Prezhdo, Oleg V. |
著者名の別形: | 金, 賢得 |
キーワード: | Semiconductor and metal nanoparticles Time-domain density functional theory Nonradiative relaxation Nonadiabatic molecular dynamics Multiple-exciton generation Electron–phonon interactions |
発行日: | Mar-2014 |
出版者: | Elsevier B.V. |
誌名: | Coordination Chemistry Reviews |
巻: | 263-264 |
開始ページ: | 161 |
終了ページ: | 181 |
抄録: | The review discusses the results of ab initio time-dependent density functional theory and non-adiabatic molecular dynamics simulations of photoinduced dynamics of charges, excitons, plasmons, and phonons in semiconductor and metallic quantum dots (QDs). The simulations create an explicit time-domain representation of the excited-state processes, including elastic and inelastic electron–phonon scattering, multiple exciton generation, fission, and recombination. These nonequilibrium phenomena control the optical and electronic properties of QDs. Our approach can account for QD size and shape, as well as chemical details of QD structure, such as dopants, defects, core/shell regions, surface ligands, and unsaturated bonds. Each of these variations significantly alters the properties of photoexcited QDs. The insights reported in this review provide a comprehensive understanding of the excited-state dynamics in QDs and suggest new ways of controlling the photo-induced processes. The design principles that follow, guide development of photovoltaic cells, electronic and spintronic devices, biological labels, and other systems rooted in the unique physical and chemical properties of nanoscale materials. |
著作権等: | © 2013 Elsevier B.V. この論文は出版社版でありません。引用の際には出版社版をご確認ご利用ください。 This is not the published version. Please cite only the published version. |
URI: | http://hdl.handle.net/2433/193468 |
DOI(出版社版): | 10.1016/j.ccr.2013.08.035 |
出現コレクション: | 学術雑誌掲載論文等 |
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