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Mapping structure-property relationships in fullerene systems:a computational study from C_(20)to C_(60)

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摘要 Fullerenes,as characteristic carbon nanomaterials,offer significant potential for diverse applications due to their structural diversity and tunable properties.Numerous isomers can exist for a specific fullerene size,yet a comprehensive understanding of their fundamental properties remains elusive.
出处 《npj Computational Materials》 CSCD 2024年第1期833-843,共11页 计算材料学(英文)
基金 supported by the University of Florida’s new faculty start-up funding.
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