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cond-mat.mtrl-sci2023
A Novel Isomer of Volleyballene ScC
Peng-Bo Liu, Jing-Jing Guo, Hui-Yan Zhao +3
The Stone-Wales defect is a well-known and significant defective structure in carbon materials, impacting their mechanical, chemical, and electronic properties. Recently, a novel m…
cond-mat.mtrl-sci2015
New Volleyballenes: Y20C60, La20C60, and Lu20C60
Jing Wang, Ying Liu
New stable Volleyballenes Y20C60, La20C60, and Lu20C60 molecular clusters have been proposed using first-principles density functional theory studies. In conjunction with recent fi…
cond-mat.mtrl-sci2015
Two-Dimensional Scandium Carbide Monolayer and its Nanotubes
Jing Wang, Hong-Man Ma, Ying Liu
A two-dimensional scandium carbide monolayer with a Sc3C10 primitive cell (Sc3C10 sheet) has been identified using first-principles density functional theory. In the Sc3C10 sheet,…