A DFT study of the electronic, optical, and mechanical properties of a recently synthesized monolayer fullerene network

Closely packed quasi-hexagonal and quasi-tetragonal crystalline phase of C60 molecules (named qHPC60) was recently synthesized. Here, we used GGA-PBE based DFT simulations to investigate the optoelectronic and mechanical properties of qHPC60 monolayers. qHPC60 has a moderate direct electronic bandga...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	Chemical physics letters Jg. 804; S. 139925
Hauptverfasser:	Tromer, Raphael M., Ribeiro, Luiz A., Galvão, Douglas S.
Format:	Journal Article
Sprache:	Englisch
Veröffentlicht:	Elsevier B.V 01.10.2022
Schlagworte:	2D C60 crystals Density functional theory Electronic properties Mechanical properties Optical properties Mechanical properties Density functional theory Electronic properties 2D C60 crystals Optical properties
ISSN:	0009-2614
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!