First-principles calculations on the curvature evolution and cross-linkage in carbon nitride
作者： G.K. Gueorguiev , J. Neidhardt , S. Stafström , L. Hultman
DOI: 10.1016/J.CPLETT.2005.04.114
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摘要: First-principles calculations were utilized to study the formation mechanisms and structural features of fullerene-like carbon nitride (FL CN x ). Cohesive energy comparisons reveal the …
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