Boron nitride-substituted graphene (BNsG) two-dimensional structures are new materials of wide technological interest due to the rich variety of electronic structures and properties they can exploit. The ability to accurately characterize them is key to their future success. Here we show, by means of ab initio simulations, that the vibrational Raman spectra of such compounds are extremely sensitive to substitution motifs and concentration, and that each structure has unique and distinct features. This result can be useful as a guide for the optimization of production processes.

The unique Raman fingerprint of boron nitride substitution patterns in graphene

MASCHIO, LORENZO;LORENZ, Marco;Sgroi, Mauro;CIVALLERI, Bartolomeo
2016-01-01

Abstract

Boron nitride-substituted graphene (BNsG) two-dimensional structures are new materials of wide technological interest due to the rich variety of electronic structures and properties they can exploit. The ability to accurately characterize them is key to their future success. Here we show, by means of ab initio simulations, that the vibrational Raman spectra of such compounds are extremely sensitive to substitution motifs and concentration, and that each structure has unique and distinct features. This result can be useful as a guide for the optimization of production processes.
2016
18
30
20270
20275
http://www.rsc.org/Publishing/Journals/CP/index.asp
Physics and Astronomy (all); Physical and Theoretical Chemistry
Maschio, Lorenzo; Lorenz, Marco; Pullini, Daniele; Sgroi, Mauro; Civalleri, Bartolomeo
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/2318/1622797
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