Single vacancy-defect endohedral metallofullerene-superhalogens: molecular topology and nonlinear optical responses of Na@C59[9-4]([8-5])-AlX<sub>4</sub> (X = Cl, Br) systems-Reference-Cited by-同舟云学术

Single vacancy-defect endohedral metallofullerene-superhalogens: molecular topology and nonlinear optical responses of Na@C59[9-4]([8-5])-AlX₄ (X = Cl, Br) systems

Published:2023 Issue:46 Volume:47 Page:21332-21343
ISSN:1144-0546
Container-title:New Journal of Chemistry
language:en
Short-container-title:New J. Chem.

Author:

Omri Nabil¹²^ORCID,Besbes Néji³,Bu Yuxiang²

Affiliation:

1. DST Unit of Nanoscience (DST UNS) & Thematic Unit of Excellence (TUE), Department of Chemistry, Indian Institute of Technology Madras, Chennai 600036, India

2. School of Chemistry and Chemical Engineering, Shandong University, Jinan 250100, People's Republic of China

3. Group of Green and Applied Organic Chemistry, National Laboratory of Composite Materials and Clay Minerals, Center for Research in Materials Sciences, Technopole of Borj Cedria, Tunis 8027, Tunisia

Abstract

By combining DFT and wavefunction analysis, the photophysical properties and optical nonlinearity responses of Na@C59[9-4]([8-5])-AlX4 (X = Cl, Br) compounds are comprehensively investigated in static and dynamic regimes.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2023/NJ/D3NJ04330D

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