Defect Processes in a PbS metal organic framework: A quantum-confined hybrid semiconductor

Research output: Contribution to journalArticle

27 Citations (Scopus)

Abstract

We report the effects of reduced dimensionality and organic networks on defect reactions in a hybrid solid of PbS (galena). Through first-principles calculations, we demonstrate that formation of the organic-inorganic network increases both the band gap and defect reaction energies. Remarkably, anion vacancies result in a localized defect center in both the bulk and hybrid materials, with high ionization energies deep in the band gap, while cation vacancies provide low energy shallow acceptor levels; the hybrid system will favor intrinsic p-type conductivity. The results demonstrate the feasibility of utilizing hybrid solids to engineer material properties for solar cell applications.

Original languageEnglish
Pages (from-to)1284-1287
Number of pages4
JournalJournal of Physical Chemistry Letters
Volume1
Issue number8
DOIs
Publication statusPublished - 2010 Apr 15

Fingerprint

Metals
Semiconductor materials
Defects
Vacancies
defects
Energy gap
metals
Ionization potential
Hybrid materials
Hybrid systems
engineers
Anions
energy
Cations
Materials properties
Solar cells
Negative ions
solar cells
Positive ions
anions

All Science Journal Classification (ASJC) codes

  • Materials Science(all)

Cite this

@article{71cdb7c94d624f03bf4ba09567883858,
title = "Defect Processes in a PbS metal organic framework: A quantum-confined hybrid semiconductor",
abstract = "We report the effects of reduced dimensionality and organic networks on defect reactions in a hybrid solid of PbS (galena). Through first-principles calculations, we demonstrate that formation of the organic-inorganic network increases both the band gap and defect reaction energies. Remarkably, anion vacancies result in a localized defect center in both the bulk and hybrid materials, with high ionization energies deep in the band gap, while cation vacancies provide low energy shallow acceptor levels; the hybrid system will favor intrinsic p-type conductivity. The results demonstrate the feasibility of utilizing hybrid solids to engineer material properties for solar cell applications.",
author = "Aron Walsh",
year = "2010",
month = "4",
day = "15",
doi = "10.1021/jz100312y",
language = "English",
volume = "1",
pages = "1284--1287",
journal = "Journal of Physical Chemistry Letters",
issn = "1948-7185",
publisher = "American Chemical Society",
number = "8",

}

Defect Processes in a PbS metal organic framework : A quantum-confined hybrid semiconductor. / Walsh, Aron.

In: Journal of Physical Chemistry Letters, Vol. 1, No. 8, 15.04.2010, p. 1284-1287.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Defect Processes in a PbS metal organic framework

T2 - A quantum-confined hybrid semiconductor

AU - Walsh, Aron

PY - 2010/4/15

Y1 - 2010/4/15

N2 - We report the effects of reduced dimensionality and organic networks on defect reactions in a hybrid solid of PbS (galena). Through first-principles calculations, we demonstrate that formation of the organic-inorganic network increases both the band gap and defect reaction energies. Remarkably, anion vacancies result in a localized defect center in both the bulk and hybrid materials, with high ionization energies deep in the band gap, while cation vacancies provide low energy shallow acceptor levels; the hybrid system will favor intrinsic p-type conductivity. The results demonstrate the feasibility of utilizing hybrid solids to engineer material properties for solar cell applications.

AB - We report the effects of reduced dimensionality and organic networks on defect reactions in a hybrid solid of PbS (galena). Through first-principles calculations, we demonstrate that formation of the organic-inorganic network increases both the band gap and defect reaction energies. Remarkably, anion vacancies result in a localized defect center in both the bulk and hybrid materials, with high ionization energies deep in the band gap, while cation vacancies provide low energy shallow acceptor levels; the hybrid system will favor intrinsic p-type conductivity. The results demonstrate the feasibility of utilizing hybrid solids to engineer material properties for solar cell applications.

UR - http://www.scopus.com/inward/record.url?scp=77951198446&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=77951198446&partnerID=8YFLogxK

U2 - 10.1021/jz100312y

DO - 10.1021/jz100312y

M3 - Article

AN - SCOPUS:77951198446

VL - 1

SP - 1284

EP - 1287

JO - Journal of Physical Chemistry Letters

JF - Journal of Physical Chemistry Letters

SN - 1948-7185

IS - 8

ER -