A charge-orbital balance picture of doping in colloidal quantum dot solids

Oleksandr Voznyy, David Zhitomirsky, Philipp Stadler, Zhijun Ning, Sjoerd Hoogland, Edward H. Sargent*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

194 Scopus citations


We present a framework-validated using both modeling and experiment-to predict doping in CQD films. In the ionic semiconductors widely deployed in CQD films, the framework reduces to a simple accounting of the contributions of the oxidation state of each constituent, including both inorganic species and organic ligands. We use density functional theory simulations to confirm that the type of doping can be reliably predicted based on the overall stoichiometry of the CQDs, largely independent of microscopic geometrical bonding configurations. Studies employing field-effect transistors constructed from CQDs that have undergone various chemical treatments, coupled with Rutherford backscattering and X-ray photoelectron spectroscopy to provide compositional analysis, allow us to test and confirm the proposed model in an experimental framework. We investigate both p- and n-type electronic doping spanning a wide range of carrier concentrations from 10 16 cm -3 to over 10 18 cm -3, and demonstrate reversible switching between p- and n-type doping by changing the CQD stoichiometry. We show that the summation of the contributions from all cations and anions within the film can be used to predict accurately the majority carrier type. The findings enable predictable control over majority carrier concentration via tuning of the overall stoichiometry.

Original languageEnglish (US)
Pages (from-to)8448-8455
Number of pages8
JournalACS nano
Issue number9
StatePublished - Sep 25 2012


  • colloidal quantum dots
  • DFT
  • doping
  • FET
  • PbS nanocrystals
  • RBS

ASJC Scopus subject areas

  • Materials Science(all)
  • Engineering(all)
  • Physics and Astronomy(all)


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