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N. V. TOKIY and D. L. SAVINA
«Interaction of Hydrogen and Nitrogen with Carbon Nitride C3N4»
029–035 (2009)

PACS numbers: 33.10.-n, 33.20.Kf, 71.15.-m, 73.25.+i, 82.20.Wt

The electronic structure of carbon nitride nanoparticle is analyzed. Quantum-mechanical modelling shows that used laser radiation cannot lead to nanoparticle excitation. Replacement of a hydrogen atom by a hydrogen molecule or nitrogen molecule results in occurrence of free-energy level in the forbidden gap near to a ceiling of a valence gap. As shown, the used laser radiation is capable to excite system consisting of a carbon nitride nanoparticle and a molecule. Energy barriers of hydrogen and nitrogen molecules dissociation are calculated. The obtained results suggest the mechanism for modification of diamond-like materials’ nanostructure under electromagnetic radiation.