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ファイル | 記述 | サイズ | フォーマット | |
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jz502505m.pdf | 3.73 MB | Adobe PDF | 見る/開く |
タイトル: | Ab Initio Analysis of Auger-Assisted Electron Transfer |
著者: | Hyeon-Deuk, Kim Kim, Joonghan Prezhdo, Oleg V. |
著者名の別形: | 金, 賢得 |
キーワード: | Auger-assisted electron transfer carrier separation quantum dots electron−phonon couplings Fermi’s golden rule |
発行日: | 15-Jan-2015 |
出版者: | American Chemical Society (ACS) |
誌名: | Journal of Physical Chemistry Letters |
巻: | 6 |
号: | 2 |
開始ページ: | 244 |
終了ページ: | 249 |
抄録: | Quantum confinement in nanoscale materials allows Auger-type electron–hole energy exchange. We show by direct time-domain atomistic simulation and analytic theory that Auger processes give rise to a new mechanism of charge transfer (CT) on the nanoscale. Auger-assisted CT eliminates the renown Marcus inverted regime, rationalizing recent experiments on CT from quantum dots to molecular adsorbates. The ab initio simulation reveals a complex interplay of the electron–hole and charge–phonon channels of energy exchange, demonstrating a variety of CT scenarios. The developed Marcus rate theory for Auger-assisted CT describes, without adjustable parameters, the experimental plateau of the CT rate in the region of large donor–acceptor energy gap. The analytic theory and atomistic insights apply broadly to charge and energy transfer in nanoscale systems. |
著作権等: | This document is the Accepted Manuscript version of a Published Work that appeared in final form in Journal of Physical Chemistry Letters, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://doi.org/10.1021/jz502505m. This is not the published version. Please cite only the published version. 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。 |
URI: | http://hdl.handle.net/2433/253739 |
DOI(出版社版): | 10.1021/jz502505m |
PubMed ID: | 26263457 |
出現コレクション: | 学術雑誌掲載論文等 |

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