Copper interstitial recombination centers in Cu3N
| Autor: | Ye Sheng Yee, David Hanifi, Stacey F. Bent, Yoshio Nishi, Alberto Salleo, Bruce M. Clemens, Hisashi Inoue, Blanka Magyari-Köpe, Adam Hultqvist |
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| Rok vydání: | 2018 |
| Předmět: |
Photocurrent
Materials science Quantitative Biology::Neurons and Cognition business.industry chemistry.chemical_element 02 engineering and technology Electron Condensed Matter::Mesoscopic Systems and Quantum Hall Effect 021001 nanoscience & nanotechnology 01 natural sciences Copper Crystallographic defect Condensed Matter::Materials Science Crystallography Semiconductor chemistry Rectification 0103 physical sciences Density functional theory 010306 general physics 0210 nano-technology business Spectroscopy |
| Zdroj: | Physical Review B. 97 |
| ISSN: | 2469-9969 2469-9950 |
| Popis: | We present a comprehensive study of the earth-abundant semiconductor ${\mathrm{Cu}}_{3}\mathrm{N}$ 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 ${\mathrm{V}}_{\mathrm{Cu}}$ have shallow defect levels while copper interstitials ${\mathrm{Cu}}_{\mathrm{i}}$ behave as deep potential wells in the conduction band, which mediate Shockley-Read-Hall recombination. The existence of ${\mathrm{Cu}}_{\mathrm{i}}$ defects has been experimentally verified using photothermal deflection spectroscopy. A ${\mathrm{Cu}}_{3}\mathrm{N}$/ZnS heterojunction diode with good current-voltage rectification behavior has been demonstrated experimentally, but no photocurrent is generated under illumination. The absence of photocurrent can be explained by a large concentration of ${\mathrm{Cu}}_{\mathrm{i}}$ recombination centers capturing electrons in $p$-type ${\mathrm{Cu}}_{3}\mathrm{N}$. |
| Databáze: | OpenAIRE |
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