Title of article
Dangling bond energetics in carbon nitride and phosphorus carbide thin films with fullerene-like and amorphous structure
Author/Authors
Gueorguiev، نويسنده , , G.K. and Broitman، نويسنده , , E. and Furlan، نويسنده , , A. and Stafstrِm، نويسنده , , S. and Hultman، نويسنده , , L.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2009
Pages
4
From page
110
To page
113
Abstract
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).
Journal title
Chemical Physics Letters
Serial Year
2009
Journal title
Chemical Physics Letters
Record number
1927814
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