By combining experimental techniques with ab initio density functional theory calculations, we describe the Si/Ag(111) 2D systems in terms of a sp 2-sp3 form of silicon characterized by a vertically distorted honeycomb lattice provided by the constraint imposed by the substrate. The Raman spectrum reflects the multihybridized nature of the 2D Si nanosheets (NSs) resulting from a buckling-induced distortion of a purely sp2 hybridized structure. We show that vibrational and electronic properties of 2D Si-NSs are tightly linked to the buckling arrangement. © 2013 American Chemical Society.
Cinquanta, E., Scalise, E., Chiappe, D., Grazianetti, C., van den Broek, B., Houssa, M., et al. (2013). Getting through the Nature of Silicene: An sp(2)-sp(3) Two-Dimensional Silicon Nanosheet. JOURNAL OF PHYSICAL CHEMISTRY. C, 117(32), 16719-16724 [10.1021/jp405642g].
Getting through the Nature of Silicene: An sp(2)-sp(3) Two-Dimensional Silicon Nanosheet
CINQUANTA, EUGENIO LUIGI;Scalise, E;GRAZIANETTI, CARLO;FANCIULLI, MARCO;
2013
Abstract
By combining experimental techniques with ab initio density functional theory calculations, we describe the Si/Ag(111) 2D systems in terms of a sp 2-sp3 form of silicon characterized by a vertically distorted honeycomb lattice provided by the constraint imposed by the substrate. The Raman spectrum reflects the multihybridized nature of the 2D Si nanosheets (NSs) resulting from a buckling-induced distortion of a purely sp2 hybridized structure. We show that vibrational and electronic properties of 2D Si-NSs are tightly linked to the buckling arrangement. © 2013 American Chemical Society.
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