Journal
APPLIED SCIENCES-BASEL
Volume 12, Issue 3, Pages -Publisher
MDPI
DOI: 10.3390/app12031710
Keywords
copper; sodium; ethylammonium; first-principles calculations; perovskite; solar cell
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Funding
- Japan Society for the Promotion of Science [21K04809]
- Grants-in-Aid for Scientific Research [21K04809] Funding Source: KAKEN
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First-principles electronic band calculations were used to investigate the effects of alkali metals and organic cations added to Cu-based perovskite solar cells. The study found that the addition of Cu and Na increased the solar conversion efficiencies, in agreement with the calculations. Excitation from iodine p-orbitals and copper d-orbitals to alkali metal s-orbitals could suppress carrier recombination and promote carrier transport.
First-principles electronic band calculations were used to investigate the effects of alkali metals and organic cations added to Cu-based perovskite solar cells. The copper d-orbital band was slightly above the valence-band maximum and functioned as an acceptor level for carrier generation. Excitation from iodine p-orbitals and copper d-orbitals to alkali metal s-orbitals could suppress carrier recombination and promote carrier transport. Experimental solar conversion efficiencies increased after adding both Cu and Na, in agreement with the calculations. Total-energy calculations indicated that the perovskite crystal stability increased with the addition of ethyl ammonium, although the total energy decreased with the addition of Cu and Na.
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