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Amorphous carbon nitride (C3N4)
(ELSEVIER, 2024)
This detailed investigation employs an ab initio approach to explore the atomic structure and electronic properties of an amorphous carbon nitride (C3N4) model. The model, designed with an exact 3:4 ratio, is based on ...
Ab initio study of boron-rich amorphous boron carbides
(WILEY, 2023)
Amorphous boron carbide compositions having high B contents (BxC1−x,
0.50 ≤ x ≤ 0.95) are systematically created by way of ab initio molecular dynamics calculations, and their structural, electrical, and mechanical ...