The Structural Properties of the Sp1-Carbon Based Materials: Linear Carbon Chains, Carbyne Crystals and a New Carbon Material – Two Dimentional Ordered Linear-Chain Carbon
作者： J. G. Korobova , M. B. Guseva , D. I. Bazhanov , V. V. Khvostov
DOI: 10.1007/978-94-007-0899-0_37
关键词: Carbon film 、 Composite material 、 Chemical physics 、 Carbyne 、 Density functional theory 、 Raman spectroscopy 、 Carbon 、 Hydrogen 、 Electron diffraction 、 Crystal structure 、 Materials science
摘要: … investigated carbyne structure using ab initio methods based on density functional theory. It … impurities didn’t stabilized the kinks in the structure of carbyne crystal in opposite to hydrogen…
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