Copper interstitial recombination centers in
Abstract
We present a comprehensive study of the earth-abundant semiconductor Cu3N as a potential solar energy conversion material, using density functional theory and experimental methods. Density functional theory indicates that among the dominant intrinsic point defects, copper vacancies VCu have shallow defect levels while copper interstitials Cui behave as deep potential wells in the conduction band which mediate Shockley-Read-Hall recombination. The existence of Cui defects has been experimentally verified using photothermal deflection spectroscopy. A Cu3N/ZnS heterojunction diode with good current-voltage rectification behavior has been demonstrated experimentally, but no photocurrent is generated under illumination. Finally, the absence of photocurrent can be explained by a large concentration of Cui recombination centers capturing electrons in p-type Cu3N.
- Authors:
-
- Stanford Univ., CA (United States). Dept. of Electrical Engineering
- Stanford Univ., CA (United States). Dept. of Applied Physics
- Stanford Univ., CA (United States). Dept. of Chemical Engineering
- Stanford Univ., CA (United States). Dept. of Chemistry
- Stanford Univ., CA (United States). Dept. of Materials Science and Engineering
- Publication Date:
- Research Org.:
- Stanford Univ., CA (United States)
- Sponsoring Org.:
- USDOE Office of Energy Efficiency and Renewable Energy (EERE); National Science Foundation (NSF)
- OSTI Identifier:
- 1440303
- Alternate Identifier(s):
- OSTI ID: 1440281
- Grant/Contract Number:
- EE0004946; AC02-05CH11231
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review B
- Additional Journal Information:
- Journal Volume: 97; Journal Issue: 24; Journal ID: ISSN 2469-9950
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 14 SOLAR ENERGY
Citation Formats
Yee, Ye Sheng, Inoue, Hisashi, Hultqvist, Adam, Hanifi, David, Salleo, Alberto, Magyari-Kope, Blanka, Nishi, Yoshio, Bent, Stacey F., and Clemens, Bruce M. Copper interstitial recombination centers in Cu3N. United States: N. p., 2018.
Web. doi:10.1103/PhysRevB.97.245201.
Yee, Ye Sheng, Inoue, Hisashi, Hultqvist, Adam, Hanifi, David, Salleo, Alberto, Magyari-Kope, Blanka, Nishi, Yoshio, Bent, Stacey F., & Clemens, Bruce M. Copper interstitial recombination centers in Cu3N. United States. https://doi.org/10.1103/PhysRevB.97.245201
Yee, Ye Sheng, Inoue, Hisashi, Hultqvist, Adam, Hanifi, David, Salleo, Alberto, Magyari-Kope, Blanka, Nishi, Yoshio, Bent, Stacey F., and Clemens, Bruce M. Mon .
"Copper interstitial recombination centers in Cu3N". United States. https://doi.org/10.1103/PhysRevB.97.245201. https://www.osti.gov/servlets/purl/1440303.
@article{osti_1440303,
title = {Copper interstitial recombination centers in Cu3N},
author = {Yee, Ye Sheng and Inoue, Hisashi and Hultqvist, Adam and Hanifi, David and Salleo, Alberto and Magyari-Kope, Blanka and Nishi, Yoshio and Bent, Stacey F. and Clemens, Bruce M.},
abstractNote = {We present a comprehensive study of the earth-abundant semiconductor Cu3N as a potential solar energy conversion material, using density functional theory and experimental methods. Density functional theory indicates that among the dominant intrinsic point defects, copper vacancies VCu have shallow defect levels while copper interstitials Cui behave as deep potential wells in the conduction band which mediate Shockley-Read-Hall recombination. The existence of Cui defects has been experimentally verified using photothermal deflection spectroscopy. A Cu3N/ZnS heterojunction diode with good current-voltage rectification behavior has been demonstrated experimentally, but no photocurrent is generated under illumination. Finally, the absence of photocurrent can be explained by a large concentration of Cui recombination centers capturing electrons in p-type Cu3N.},
doi = {10.1103/PhysRevB.97.245201},
journal = {Physical Review B},
number = 24,
volume = 97,
place = {United States},
year = {Mon Jun 04 00:00:00 EDT 2018},
month = {Mon Jun 04 00:00:00 EDT 2018}
}
Web of Science
Figures / Tables:
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