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- W2918565532 abstract "Abstract Fullerene‐like boron clusters (borofullerenes) are rising stars in the field of cluster chemistry. In this work, density functional theory calculations revealed that the recently reported small borofullerenes B n (n = 28, 38, and 40) are all highly reactive and tend to form dimers and even trimers spontaneously. In addition, the non‐covalent modification of these borofullerenes by various cycloparaphenylene nanorings can form stable host‐guest systems with substantial intermolecular charge transfer at both ground and excited states. Our results demonstrate that the borofullerenes are versatile platform for exohedral functionalization, and are very promising candidates for the design of novel nanomaterials with desirable properties." @default.
- W2918565532 created "2019-03-11" @default.
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- W2918565532 date "2019-03-04" @default.
- W2918565532 modified "2023-10-16" @default.
- W2918565532 title "Aggregation behavior and non‐covalent functionalization of borofullerenes B <sub>28</sub> , B <sub>38</sub> , and B <sub>40</sub> : A density functional theory investigation" @default.
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- W2918565532 doi "https://doi.org/10.1002/qua.25921" @default.
- W2918565532 hasPublicationYear "2019" @default.
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