The role of ligands in electron transport in nanocrystal solids

Nanoscale
Artem R KhabibullinSteven C Erwin

Abstract

We investigate theoretically the transport of electrons and holes in crystalline solids consisting of three-dimensional arrays of semiconductor nanocrystals passivated by two types of organic ligands-linear chain carboxylates and functionalized aromatic cinnamates. We focus on a critical quantity in transport: the quantum-mechanical overlap of the strongly confined electron and hole wavefunctions on neighboring nanocrystals. Using results from density-functional-theory (DFT) calculations, we construct a one-dimensional model system whose analytic wavefunctions reproduce the full DFT numerical overlap values. By investigating the analytic behavior of this model, we reveal several important features of electron transport. The most significant is that the wavefunction overlap decays exponentially with ligand length, with a characteristic decay length that depends primarily on properties of the ligand and is almost independent of the size and type of nanocrystal. Functionalization of the ligands can also affect the overlap by changing the height of the tunneling barrier. The physically transparent analytic expressions we obtain for the wavefunction overlap and its decay length should be useful for future efforts to control transpor...Continue Reading

References

Dec 15, 1994·Physical Review. B, Condensed Matter·P E Blöchl
Oct 28, 1996·Physical Review Letters·J P PerdewM Ernzerhof
Oct 8, 2005·Science·Dmitri V Talapin, Christopher B Murray
Jun 13, 2009·Science·Maksym V KovalenkoDmitri V Talapin
Sep 29, 2011·Nature Nanotechnology·Elise TalgornLaurens D A Siebbeles
Sep 29, 2011·Nature Communications·Prashant Nagpal, Victor I Klimov
Oct 25, 2011·Nature Materials·S IthurriaAl L Efros
Oct 13, 2012·Journal of the American Chemical Society·Benoit MahlerBenoit Dubertret
Oct 15, 2013·Nano Letters·Andrew ShabaevAlexei L Efros
Jan 23, 2015·ACS Nano·Maksym V KovalenkoWolfgang Heiss
May 3, 2012·The Journal of Physical Chemistry Letters·Philippe Guyot-Sionnest
Nov 10, 2015·Nature Nanotechnology·Cherie R Kagan, Christopher B Murray
Feb 24, 2016·Nature Materials·Kevin WhithamTobias Hanrath
Aug 27, 2016·Science·Cherie R KaganDmitri V Talapin
Jun 24, 2017·Chemical Reviews·Harald OberhoferJochen Blumberger
Jun 22, 2018·ACS Nano·Rachel H GilmoreWilliam A Tisdale
Sep 13, 2018·Chemical Society Reviews·Cherie R Kagan
Jun 13, 2019·The Journal of Physical Chemistry Letters·Yun LiuJeffrey C Grossman
Sep 24, 2019·Nano Letters·Qunfei ZhouPierre Darancet
Oct 16, 2019·Nature Materials·Alex AbelsonMatt Law
Jan 29, 2020·Nature Materials·Xinzheng LanDmitri V Talapin
Jun 7, 2020·Nature Communications·Nuri YazdaniVanessa Wood
Aug 6, 2020·The Journal of Chemical Physics·Yaqing WeiOleg V Prezhdo
Jan 23, 2021·The Journal of Chemical Physics·Xun Zha, Alex Travesset

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Citations

Apr 9, 2021·ACS Nano·Alexander L Efros, Louis E Brus
Aug 6, 2021·Chemistry : a European Journal·Carlo Giansante

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