Pseudopotential‐fragment spectroscopy for organic molecules and carbon allotropes

The era of carbon allotropes.

Carbon is the element in the periodic table that provides the basis for life on Earth. It is also important for many technological applications, ranging from drugs to synthetic materials. This role is a consequence of carbon’s ability to bind to itself and to nearly all elements in almost limitless variety. The resulting structural diversity of organic compounds and molecules is accompanied by ...

Visualization techniques for modelling carbon allotropes

Carbon takes many different forms, each with its own electronic structure and has a fantastic range of properties. As well as graphite/diamond, a hexagonal diamond called londsdaleite, and amorphous carbons of sp2, sp3 and mixed natures there are all the fullerenes, graphene, nanotubes etc. Fortunately, their different electronic structures take distinct geometrical forms, so that deducing the ...

Density of States Calculations for Carbon Allotropes and Mixtures

xiii

NITech - LFG joint workshop on carbon allotropes

Novamene: A new class of carbon allotropes

We announce a new class of carbon allotropes. The basis of this new classification resides on the concept of combining hexagonal diamond (sp3 bonded carbon - lonsdaleite) and ring carbon (sp2 bonded carbon - graphene). Since hexagonal diamond acts as an insulator and sp2 bonded rings act as conductors, these predicted materials have potential applications for transistors and other electronic co...