Effects of atomic species and interatomic distance on the interactions in one-dimensional nanomaterials

Noncovalent van der Waals (vdW) interactions are significant for the constitution of nanomaterials; however, they are not well understood in one-dimensional materials. Herein, we employ density functional theory (DFT) methods to address this issue and find that the many-body effects of vdW interacti...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2019-11, Vol.21 (46), p.25889-25895
Hauptverfasser:	Bu, Yi-Fan, Zhao, Ming, Chen, Yun, Gao, Wang, Jiang, Qing
Format:	Artikel
Sprache:	eng
Schlagworte:	Coupling (molecular) Density functional theory Dimensional stability Heptanes Interatomic distance Nanomaterials Perovskites
Online-Zugang:	Volltext
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