Large Band Edge Tunability in Colloidal Nanoplatelets

Qunfei Zhou, Yeongsu Cho, Shenyuan Yang, Emily A. Weiss, Timothy C. Berkelbach, Pierre Darancet

Research output: Contribution to journalArticle

Abstract

We study the impact of organic surface ligands on the electronic structure and electronic band edge energies of quasi-two-dimensional (2D) colloidal cadmium selenide nanoplatelets (NPLs) using density functional theory. We show how control of the ligand and ligand-NPL interface dipoles results in large band edge energy shifts, over a range of 5 eV for common organic ligands with a minor effect on the NPL band gaps. Using a model self-energy to account for the dielectric contrast and an effective mass model of the excitons, we show that the band edge tunability of NPLs together with the strong dependence of the optical band gap on NPL thickness can lead to favorable photochemical and optoelectronic properties.

Original languageEnglish
Pages (from-to)7124-7129
Number of pages6
JournalNano letters
Volume19
Issue number10
DOIs
Publication statusPublished - Oct 9 2019

Fingerprint

Ligands
ligands
Optical band gaps
cadmium selenides
Excitons
Cadmium
Optoelectronic devices
Electronic structure
Density functional theory
Energy gap
energy
excitons
dipoles
density functional theory
electronic structure
shift
electronics

Keywords

  • band edge energies
  • band gap
  • Colloidal nanoplatelet
  • DFT
  • effective mass model
  • self-energy correction

ASJC Scopus subject areas

  • Bioengineering
  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanical Engineering

Cite this

Zhou, Q., Cho, Y., Yang, S., Weiss, E. A., Berkelbach, T. C., & Darancet, P. (2019). Large Band Edge Tunability in Colloidal Nanoplatelets. Nano letters, 19(10), 7124-7129. https://doi.org/10.1021/acs.nanolett.9b02645

Large Band Edge Tunability in Colloidal Nanoplatelets. / Zhou, Qunfei; Cho, Yeongsu; Yang, Shenyuan; Weiss, Emily A.; Berkelbach, Timothy C.; Darancet, Pierre.

In: Nano letters, Vol. 19, No. 10, 09.10.2019, p. 7124-7129.

Research output: Contribution to journalArticle

Zhou, Q, Cho, Y, Yang, S, Weiss, EA, Berkelbach, TC & Darancet, P 2019, 'Large Band Edge Tunability in Colloidal Nanoplatelets', Nano letters, vol. 19, no. 10, pp. 7124-7129. https://doi.org/10.1021/acs.nanolett.9b02645
Zhou Q, Cho Y, Yang S, Weiss EA, Berkelbach TC, Darancet P. Large Band Edge Tunability in Colloidal Nanoplatelets. Nano letters. 2019 Oct 9;19(10):7124-7129. https://doi.org/10.1021/acs.nanolett.9b02645
Zhou, Qunfei ; Cho, Yeongsu ; Yang, Shenyuan ; Weiss, Emily A. ; Berkelbach, Timothy C. ; Darancet, Pierre. / Large Band Edge Tunability in Colloidal Nanoplatelets. In: Nano letters. 2019 ; Vol. 19, No. 10. pp. 7124-7129.
@article{d930c891cb51490f82ecf3df6d8efc27,
title = "Large Band Edge Tunability in Colloidal Nanoplatelets",
abstract = "We study the impact of organic surface ligands on the electronic structure and electronic band edge energies of quasi-two-dimensional (2D) colloidal cadmium selenide nanoplatelets (NPLs) using density functional theory. We show how control of the ligand and ligand-NPL interface dipoles results in large band edge energy shifts, over a range of 5 eV for common organic ligands with a minor effect on the NPL band gaps. Using a model self-energy to account for the dielectric contrast and an effective mass model of the excitons, we show that the band edge tunability of NPLs together with the strong dependence of the optical band gap on NPL thickness can lead to favorable photochemical and optoelectronic properties.",
keywords = "band edge energies, band gap, Colloidal nanoplatelet, DFT, effective mass model, self-energy correction",
author = "Qunfei Zhou and Yeongsu Cho and Shenyuan Yang and Weiss, {Emily A.} and Berkelbach, {Timothy C.} and Pierre Darancet",
year = "2019",
month = "10",
day = "9",
doi = "10.1021/acs.nanolett.9b02645",
language = "English",
volume = "19",
pages = "7124--7129",
journal = "Nano Letters",
issn = "1530-6984",
publisher = "American Chemical Society",
number = "10",

}

TY - JOUR

T1 - Large Band Edge Tunability in Colloidal Nanoplatelets

AU - Zhou, Qunfei

AU - Cho, Yeongsu

AU - Yang, Shenyuan

AU - Weiss, Emily A.

AU - Berkelbach, Timothy C.

AU - Darancet, Pierre

PY - 2019/10/9

Y1 - 2019/10/9

N2 - We study the impact of organic surface ligands on the electronic structure and electronic band edge energies of quasi-two-dimensional (2D) colloidal cadmium selenide nanoplatelets (NPLs) using density functional theory. We show how control of the ligand and ligand-NPL interface dipoles results in large band edge energy shifts, over a range of 5 eV for common organic ligands with a minor effect on the NPL band gaps. Using a model self-energy to account for the dielectric contrast and an effective mass model of the excitons, we show that the band edge tunability of NPLs together with the strong dependence of the optical band gap on NPL thickness can lead to favorable photochemical and optoelectronic properties.

AB - We study the impact of organic surface ligands on the electronic structure and electronic band edge energies of quasi-two-dimensional (2D) colloidal cadmium selenide nanoplatelets (NPLs) using density functional theory. We show how control of the ligand and ligand-NPL interface dipoles results in large band edge energy shifts, over a range of 5 eV for common organic ligands with a minor effect on the NPL band gaps. Using a model self-energy to account for the dielectric contrast and an effective mass model of the excitons, we show that the band edge tunability of NPLs together with the strong dependence of the optical band gap on NPL thickness can lead to favorable photochemical and optoelectronic properties.

KW - band edge energies

KW - band gap

KW - Colloidal nanoplatelet

KW - DFT

KW - effective mass model

KW - self-energy correction

UR - http://www.scopus.com/inward/record.url?scp=85072997682&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85072997682&partnerID=8YFLogxK

U2 - 10.1021/acs.nanolett.9b02645

DO - 10.1021/acs.nanolett.9b02645

M3 - Article

C2 - 31545615

AN - SCOPUS:85072997682

VL - 19

SP - 7124

EP - 7129

JO - Nano Letters

JF - Nano Letters

SN - 1530-6984

IS - 10

ER -