Single vacancy-defect endohedral metallofullerene-superhalogens: molecular topology and nonlinear optical responses of Na@C59[9-4]([8-5])-AlX 4 (X = Cl, Br) systems
- 30 October 2023
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in New Journal of Chemistry
- Vol. 47 (46) , 21332-21343
Abstract
By combining DFT and wavefunction analysis, the photophysical properties and optical nonlinearity responses of Na@C59[9-4]([8-5])-AlX 4 (X = Cl, Br) compounds are comprehensively investigated in static and dynamic regimes.Keywords
Funding Information
- National Natural Science Foundation of China (21873056)
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