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231224s2017 xx |||||o 00| ||eng c |
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|a 10.1002/jcc.24843
|2 doi
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|a pubmed24n0908.xml
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|a (NLM)28568014
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|a DE-627
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|e rakwb
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|a eng
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|a Weber, Fabian
|e verfasserin
|4 aut
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|a Interdependence of ICD rates in paired quantum dots on geometry
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|c 2017
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|a Text
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|2 rdacontent
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|a ƒaComputermedien
|b c
|2 rdamedia
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|a ƒa Online-Ressource
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|2 rdacarrier
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|a Date Revised 20.11.2019
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|a published: Print-Electronic
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|a Citation Status PubMed-not-MEDLINE
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|a © 2017 Wiley Periodicals, Inc.
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|a Using state-of-the-art antisymmetrized multiconfiguration time-dependent Hartree (MCTDH) electron dynamics calculations we study the interdependence of the intermolecular Coulombic decay (ICD) process on the geometric parameters of a doubly-charged paired quantum dot (PQD) model system in the framework of the effective mass approximation (EMA). We find that ICD displays a maximum rate for a certain geometry of the electron-emitting quantum dot, which is simultaneously dependent on both the distance between the quantum dots as well as the photon-absorbing quantum dot's geometry. The rate maximum is shown to be caused by the competing effects of polarization of electron density and Coulomb repulsion. The ICD rate-maximized PQD geometry in GaAs QDs yields a decay time of 102.39 ps. It is given by two vertically-aligned cylindrical QDs with radii of 14.42 nm separated by 86.62 nm. The photon absorbing QD then has a height of 46.59 nm and the electron emitting QD a height of 16.33 nm. © 2017 Wiley Periodicals, Inc
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|a Journal Article
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|a Research Support, Non-U.S. Gov't
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|a electron dynamics
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|a geometric control
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4 |
|a intermolecular Coulombic decay
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| 650 |
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4 |
|a quantum dots
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|a quantum size effect
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1 |
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|a Aziz, Emad F
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Bande, Annika
|e verfasserin
|4 aut
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| 773 |
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|i Enthalten in
|t Journal of computational chemistry
|d 1984
|g 38(2017), 25 vom: 30. Sept., Seite 2141-2150
|w (DE-627)NLM098138448
|x 1096-987X
|7 nnns
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| 773 |
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|g volume:38
|g year:2017
|g number:25
|g day:30
|g month:09
|g pages:2141-2150
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|u http://dx.doi.org/10.1002/jcc.24843
|3 Volltext
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