Journal
JOURNAL OF PHYSICAL CHEMISTRY C
Volume 121, Issue 26, Pages 14066-14072Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpcc.7b04869
Keywords
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Funding
- Fluid Interface Reactions, Structures and Transport (FIRST) Center, an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences
- National Natural Science Foundation of China [91334203]
- 111 Project of China [B08021]
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Room-temperature ionic liquids (RTILs) have been widely used as electrolytes to enhance the capacitive performance of electrochemical capacitors also known as supercapacitors. Whereas impurities are ubiquitous in RTILs (e.g., water, alkali salts, and organic solvents), little is known about their influences on the electrochemical behavior of electrochemical devices. In this work, we investigate different impurities in RTILs within the micropores of carbon electrodes via the classical density functional theory (CDFT). We find that under certain conditions impurities can significantly change the charging behavior of electric double layers and the shape of differential capacitance curves even at very low concentrations. More interestingly, an impurity with a strong affinity to the nanopore can increase the energy density beyond a critical charging potential. Our theoretical predictions provide further understanding of how impurity in RTILs affects the performance of supercapacitors.
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