Unveiling the Penta-Silicene nature of perfectly aligned single and double strand Si-nanoribbons on Ag(110)

TL;DR

This paper uses DFT calculations to uncover the hidden penta-silicene structure of Si nanoribbons on Ag(110), revealing a new silicon allotrope that challenges the conventional hexagonal silicene paradigm.

Contribution

It demonstrates the existence of penta-silicene, a novel silicon allotrope, and clarifies the structure of Si nanoribbons on Ag(110), bridging experimental observations and theoretical predictions.

Findings

Confirmed penta-silicene as the structure of Si nanoribbons

Revealed penta-silicene as a new silicon allotrope

Linked experimental facts with theoretical models

Abstract

We reveal through extensive DFT calculations, confronted to key experimental facts, the hidden penta-silicene nature of single and double strand chiral Si nanoribbons perfectly aligned on Ag(110) surfaces, that were discovered in 2005, but whose structure remained elusive. We thus simultaneously demonstrate the existence of penta-silicene, a recently conjectured novel pentagonal silicon allotrope, which remained unveiled for 11 years, and which materializes a paradigmatic shift from normal hexagonal silicene.