Thermal Stability and Vibrational Properties of the 6,6,12-Graphyne-Based Isolated Molecules and Two-Dimensional Crystal
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DOI: 10.3390/ma16051964
Abstract: We report the geometry, kinetic energy, and some optical properties of the 6,6,12-graphyne-based systems. We obtained the values of their binding energies and structural characteristics such as bond lengths and valence angles. Moreover, using nonorthogonal… read more here.
Keywords: based isolated; crystal; thermal stability; properties graphyne ... See more keywords