The Next Generation of Carbon Allotropes: On the Way to Carbyne and Graphyne (A04)

这项拟议中的研究将扩大自然界的多样性，超越已知的碳同素异形体（例如，富勒烯、纳米管、石墨烯和金刚石）通过合理合成基于sp-杂化碳的新同素异形体，即碳炔和石墨（二）炔。对于碳炔，多炔和累积多烯都将作为模型系统进行研究，以探索散装碳炔实际上是两者的混合物的假设。将评估合成材料的技术相关的电子和光学特性，特别是它们作为分子线的能力。

The proposed research will extend Nature's diversity beyond the known carbon allotropes (e.g., fullerenes, nanotubes, graphene, and diamond) through a rational synthesis of new allotropes based on sp-hybridized carbon, namely carbyne and graph(di)yne. Toward carbyne, both polyynes and cumulenes will be examined as model systems, in order to explore the hypothesis that bulk carbyne is actually a hybrid of both. Synthesized materials will be evaluated for technologically relevant electronic and optical properties, particularly their ability to serve as molecular wires.