Modeling Superlattices of Dipolar and Polarizable Semiconducting Nanoparticles

Mazzotti, Sergio; Giberti, Federico; Galli, Giulia

doi:10.1021/acs.nanolett.9b01142

Modeling Superlattices of Dipolar and Polarizable Semiconducting Nanoparticles

Journal Article · Wed May 22 00:00:00 EDT 2019 · Nano Letters

DOI:https://doi.org/10.1021/acs.nanolett.9b01142· OSTI ID:1532753

^[1]; ^[2]; Galli, Giulia ^[3]

ETH Zurich, Zurich (Switzerland)
École Polytechnique Fédérale de Lausanne, Lausanne (Switzerland)
The Univ. of Chicago, Chicago, IL (United States); Argonne National Lab. (ANL), Argonne, IL (United States)

We present an analytical model to describe the stability of arbitrary semiconducting nanoparticle (NP) superlattices as a function of the dipole and polarizability of their constituents. We first validate our model by comparison with density functional theory calculations of simple cubic superlattices of small CdSe NPs, and we show the existence of a regime, relevant to experiments, where NP interactions are predominantly dipole-like. Here, we then apply our model to binary superlattices and find striking differences between the stable geometries of lattices composed of polarizable and nonpolarizable NPs. Finally, we discuss the interplay of dipolar and ligand-ligand interactions in determining the stability of NP superlattices.

View Accepted Manuscript (DOE)

Research Organization:: Argonne National Lab. (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 1532753

Journal Information:: Nano Letters, Journal Name: Nano Letters Journal Issue: 6 Vol. 19; ISSN 1530-6984

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Comparative Study of Covalent and van der Waals CdS Quantum Dot Assemblies from Many-Body Perturbation Theory Aryal, Sandip; Frimpong, Joseph; Liu, Zhen-Fei arXiv https://doi.org/10.48550/arxiv.2207.07074	text	January 2022

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