High-energy excitations in silicon nanoparticles

A. Gali, Márton Vörös, Dario Rocca, Gergely T. Zimanyi, Giulia Galli

Research output: Contribution to journalArticle

36 Citations (Scopus)

Abstract

We have investigated high energy excitations in ∼1-2 nm Si nanoparticles (NPs) by ab initio time-dependent density functional calculations, focusing on the influence on excitation spectra, of surface reconstruction, surface passivation by alkyl groups, and the interaction between NPs. We have found that surface reconstruction may change excitation spectra dramatically at both low and high energies above the gap; absorption may be enhanced nonlinearly by the presence of alkyl groups, compared to that of unreconstructed, hydrogenated Si NPs, and by the interaction between NPs. Our findings can help interpret the recent experiments on multielectron generation in colloidal semiconductor NPs as well as help optimize photovoltaic applications of NPs.

Original languageEnglish
Pages (from-to)3780-3785
Number of pages6
JournalNano Letters
Volume9
Issue number11
DOIs
Publication statusPublished - Dec 11 2009

Fingerprint

Excitation energy
Silicon
Nanoparticles
nanoparticles
silicon
excitation
Surface reconstruction
energy
Passivation
passivity
Density functional theory
interactions
Semiconductor materials
Experiments

ASJC Scopus subject areas

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

Cite this

Gali, A., Vörös, M., Rocca, D., Zimanyi, G. T., & Galli, G. (2009). High-energy excitations in silicon nanoparticles. Nano Letters, 9(11), 3780-3785. https://doi.org/10.1021/nl901970u

High-energy excitations in silicon nanoparticles. / Gali, A.; Vörös, Márton; Rocca, Dario; Zimanyi, Gergely T.; Galli, Giulia.

In: Nano Letters, Vol. 9, No. 11, 11.12.2009, p. 3780-3785.

Research output: Contribution to journalArticle

Gali, A, Vörös, M, Rocca, D, Zimanyi, GT & Galli, G 2009, 'High-energy excitations in silicon nanoparticles', Nano Letters, vol. 9, no. 11, pp. 3780-3785. https://doi.org/10.1021/nl901970u
Gali A, Vörös M, Rocca D, Zimanyi GT, Galli G. High-energy excitations in silicon nanoparticles. Nano Letters. 2009 Dec 11;9(11):3780-3785. https://doi.org/10.1021/nl901970u
Gali, A. ; Vörös, Márton ; Rocca, Dario ; Zimanyi, Gergely T. ; Galli, Giulia. / High-energy excitations in silicon nanoparticles. In: Nano Letters. 2009 ; Vol. 9, No. 11. pp. 3780-3785.
@article{67ede962b31746398a93459d16fc912b,
title = "High-energy excitations in silicon nanoparticles",
abstract = "We have investigated high energy excitations in ∼1-2 nm Si nanoparticles (NPs) by ab initio time-dependent density functional calculations, focusing on the influence on excitation spectra, of surface reconstruction, surface passivation by alkyl groups, and the interaction between NPs. We have found that surface reconstruction may change excitation spectra dramatically at both low and high energies above the gap; absorption may be enhanced nonlinearly by the presence of alkyl groups, compared to that of unreconstructed, hydrogenated Si NPs, and by the interaction between NPs. Our findings can help interpret the recent experiments on multielectron generation in colloidal semiconductor NPs as well as help optimize photovoltaic applications of NPs.",
author = "A. Gali and M{\'a}rton V{\"o}r{\"o}s and Dario Rocca and Zimanyi, {Gergely T.} and Giulia Galli",
year = "2009",
month = "12",
day = "11",
doi = "10.1021/nl901970u",
language = "English",
volume = "9",
pages = "3780--3785",
journal = "Nano Letters",
issn = "1530-6984",
publisher = "American Chemical Society",
number = "11",

}

TY - JOUR

T1 - High-energy excitations in silicon nanoparticles

AU - Gali, A.

AU - Vörös, Márton

AU - Rocca, Dario

AU - Zimanyi, Gergely T.

AU - Galli, Giulia

PY - 2009/12/11

Y1 - 2009/12/11

N2 - We have investigated high energy excitations in ∼1-2 nm Si nanoparticles (NPs) by ab initio time-dependent density functional calculations, focusing on the influence on excitation spectra, of surface reconstruction, surface passivation by alkyl groups, and the interaction between NPs. We have found that surface reconstruction may change excitation spectra dramatically at both low and high energies above the gap; absorption may be enhanced nonlinearly by the presence of alkyl groups, compared to that of unreconstructed, hydrogenated Si NPs, and by the interaction between NPs. Our findings can help interpret the recent experiments on multielectron generation in colloidal semiconductor NPs as well as help optimize photovoltaic applications of NPs.

AB - We have investigated high energy excitations in ∼1-2 nm Si nanoparticles (NPs) by ab initio time-dependent density functional calculations, focusing on the influence on excitation spectra, of surface reconstruction, surface passivation by alkyl groups, and the interaction between NPs. We have found that surface reconstruction may change excitation spectra dramatically at both low and high energies above the gap; absorption may be enhanced nonlinearly by the presence of alkyl groups, compared to that of unreconstructed, hydrogenated Si NPs, and by the interaction between NPs. Our findings can help interpret the recent experiments on multielectron generation in colloidal semiconductor NPs as well as help optimize photovoltaic applications of NPs.

UR - http://www.scopus.com/inward/record.url?scp=72849142427&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=72849142427&partnerID=8YFLogxK

U2 - 10.1021/nl901970u

DO - 10.1021/nl901970u

M3 - Article

VL - 9

SP - 3780

EP - 3785

JO - Nano Letters

JF - Nano Letters

SN - 1530-6984

IS - 11

ER -