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BIBTEX RIS

Dangling bond energetics in carbon nitride and phosphorus carbide thin films with fullerene-like and amorphous structure

2009; Elsevier BV; Volume: 482; Issue: 1-3 Linguagem: Inglês

10.1016/j.cplett.2009.09.083

ISSN

1873-4448

Autores

G.K. Gueorguiev, Esteban Broitman, Andrej Furlan, S. Stafström, L. Hultman,

Tópico(s)

Graphene research and applications

Resumo

The energy cost for dangling bond formation in Fullerene-like Carbon Nitride (FL-CNx) and Phosphorus carbide (FL-CPx) as well as their amorphous counterparts: a-CNx, a-CPx, and a-C has been calculated within the framework of Density Functional Theory and compared with surface water adsorption measurements. The highest energy cost is found in the FL-CNx (about 1.37 eV) followed by FL-CPx compounds (0.62–1.04 eV).

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