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Open AccessArticle

Fullerene Negative Ions: Formation and Catalysis

Department of Physics and CTSPS, Clark Atlanta University, Atlanta, GA 30314, USA
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Int. J. Mol. Sci. 2020, 21(9), 3159; https://doi.org/10.3390/ijms21093159
Received: 26 February 2020 / Revised: 11 April 2020 / Accepted: 24 April 2020 / Published: 30 April 2020
(This article belongs to the Special Issue Synthesis and Reactivity of Novel Aromatic Compounds)
We first explore negative-ion formation in fullerenes C44 to C136 through low-energy electron elastic scattering total cross sections calculations using our Regge-pole methodology. Then, the formed negative ions C44ˉ to C136ˉ are used to investigate the catalysis of water oxidation to peroxide and water synthesis from H2 and O2. The exploited fundamental mechanism underlying negative-ion catalysis involves hydrogen bond strength-weakening/breaking in the transition state. Density Functional Theory transition state calculations found C60ˉ optimal for both water and peroxide synthesis, C100ˉ increases the energy barrier the most, and C136ˉ the most effective catalyst in both water synthesis and oxidation to H2O2. View Full-Text
Keywords: fullerene anions; electron cross sections; polarization interaction; water oxidation; anionic catalysis fullerene anions; electron cross sections; polarization interaction; water oxidation; anionic catalysis
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MDPI and ACS Style

Felfli, Z.; Suggs, K.; Nicholas, N.; Msezane, A.Z. Fullerene Negative Ions: Formation and Catalysis. Int. J. Mol. Sci. 2020, 21, 3159. https://doi.org/10.3390/ijms21093159

AMA Style

Felfli Z, Suggs K, Nicholas N, Msezane AZ. Fullerene Negative Ions: Formation and Catalysis. International Journal of Molecular Sciences. 2020; 21(9):3159. https://doi.org/10.3390/ijms21093159

Chicago/Turabian Style

Felfli, Zineb; Suggs, Kelvin; Nicholas, Nantambu; Msezane, Alfred Z. 2020. "Fullerene Negative Ions: Formation and Catalysis" Int. J. Mol. Sci. 21, no. 9: 3159. https://doi.org/10.3390/ijms21093159

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