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Title: Atomic and electronic structure of Lomer dislocations at CdTe bicrystal interface

Abstract

Extended defects are of considerable importance in determining the electronic properties of semiconductors, especially in photovoltaics (PVs), due to their effects on electron-hole recombination. We employ model systems to study the effects of dislocations in CdTe by constructing grain boundaries using wafer bonding. Atomic-resolution scanning transmission electron microscopy (STEM) of a [1–10]/ (110) 4.8° tilt grain boundary reveals that the interface is composed of three distinct types of Lomer dislocations. Geometrical phase analysis is used to map strain fields, while STEM and density functional theory (DFT) modeling determine the atomic structure at the interface. The electronic structure of the dislocation cores calculated using DFT shows significant mid-gap states and different charge-channeling tendencies. Cl-doping is shown to reduce the midgap states, while maintaining the charge separation effects. In conclusion, this report offers novel avenues for exploring grain boundary effects in CdTe-based solar cells by fabricating controlled bicrystal interfaces and systematic atomic-scale analysis.

Authors:
 [1];  [2];  [3];  [1];  [1];  [2];  [3];  [2];  [1]
  1. Univ. of Texas at Dallas, Richardson, TX (United States)
  2. Univ. of Illinois at Chicago, Chicago, IL (United States)
  3. Argonne National Lab. (ANL), Lemont, IL (United States)
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
National Science Foundation (NSF); USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Energy Efficiency and Renewable Energy (EERE), Renewable Power Office. Solar Energy Technologies Office
OSTI Identifier:
1307567
Grant/Contract Number:  
AC02-06CH11357
Resource Type:
Accepted Manuscript
Journal Name:
Scientific Reports
Additional Journal Information:
Journal Volume: 6; Journal ID: ISSN 2045-2322
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Sun, Ce, Paulauskas, Tadas, Sen, Fatih G., Lian, Guoda, Wang, Jinguo, Buurma, Christopher, Chan, Maria K. Y., Klie, Robert F., and Kim, Moon J. Atomic and electronic structure of Lomer dislocations at CdTe bicrystal interface. United States: N. p., 2016. Web. https://doi.org/10.1038/srep27009.
Sun, Ce, Paulauskas, Tadas, Sen, Fatih G., Lian, Guoda, Wang, Jinguo, Buurma, Christopher, Chan, Maria K. Y., Klie, Robert F., & Kim, Moon J. Atomic and electronic structure of Lomer dislocations at CdTe bicrystal interface. United States. https://doi.org/10.1038/srep27009
Sun, Ce, Paulauskas, Tadas, Sen, Fatih G., Lian, Guoda, Wang, Jinguo, Buurma, Christopher, Chan, Maria K. Y., Klie, Robert F., and Kim, Moon J. Fri . "Atomic and electronic structure of Lomer dislocations at CdTe bicrystal interface". United States. https://doi.org/10.1038/srep27009. https://www.osti.gov/servlets/purl/1307567.
@article{osti_1307567,
title = {Atomic and electronic structure of Lomer dislocations at CdTe bicrystal interface},
author = {Sun, Ce and Paulauskas, Tadas and Sen, Fatih G. and Lian, Guoda and Wang, Jinguo and Buurma, Christopher and Chan, Maria K. Y. and Klie, Robert F. and Kim, Moon J.},
abstractNote = {Extended defects are of considerable importance in determining the electronic properties of semiconductors, especially in photovoltaics (PVs), due to their effects on electron-hole recombination. We employ model systems to study the effects of dislocations in CdTe by constructing grain boundaries using wafer bonding. Atomic-resolution scanning transmission electron microscopy (STEM) of a [1–10]/ (110) 4.8° tilt grain boundary reveals that the interface is composed of three distinct types of Lomer dislocations. Geometrical phase analysis is used to map strain fields, while STEM and density functional theory (DFT) modeling determine the atomic structure at the interface. The electronic structure of the dislocation cores calculated using DFT shows significant mid-gap states and different charge-channeling tendencies. Cl-doping is shown to reduce the midgap states, while maintaining the charge separation effects. In conclusion, this report offers novel avenues for exploring grain boundary effects in CdTe-based solar cells by fabricating controlled bicrystal interfaces and systematic atomic-scale analysis.},
doi = {10.1038/srep27009},
journal = {Scientific Reports},
number = ,
volume = 6,
place = {United States},
year = {2016},
month = {6}
}

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    Works referencing / citing this record:

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