Electronic properties of boron-rich graphene nanowiggles

A variety of graphene nanoribbons with complex edge structures have been synthesized over the last decade, including a rich set of structures where specific carbon atoms are substituted by heteroatoms. While a majority of existing studies have focused on nitrogen substitution, understanding how substitutional boron affects the electronic structure is a fundamental issue of interest, as boron is expected to offer complementary features relative to nitrogen when compared to carbon. We performed first-principles simulations to investigate the electronic properties of boron-substituted graphitic nanowiggles (GNWs). We show that the insertion of a B heteroatom induces marked changes in the electronic behavior of the nanoribbons, as well as the emergence of non-trivial spin-polarized distributions, resulting in systems with high potential for use in nanoscale devices.

Automated summary

Recent studies have focused on the impact of boron substitution on graphitic nanowiggles, showing significant changes in electronic behavior and the emergence of non-trivial spin-polarized distributions, indicating high potential for application in nanoscale devices.