Predicting lanthanide boride inverse sandwich tubular molecular rotors with the smallest core–shell structure
Author:
Affiliation:
1. Nanocluster Laboratory
2. Institute of Molecular Science
3. Shanxi University
4. Taiyuan 030006
5. China
Abstract
Extensive first-principles theory calculations predict the possibility of bi-decker inverse sandwich complexes La2[B18], La2[B18]2−, and La2[B2@B18], with the B2-centered La2[B2@B18] as a tubular molecular rotor possessing the smallest core–shell structure.
Funder
National Natural Science Foundation of China
Publisher
Royal Society of Chemistry (RSC)
Subject
General Materials Science
Link
http://pubs.rsc.org/en/content/articlepdf/2019/NR/C9NR07284E
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