Unveiling the Multiradical Character of the Biphenylene Network and Its Anisotropic Charge Transport.

ABSTRACT: Recent progress in the on-surface synthesis and characterization of nanomaterials is facilitating the realization of new carbon allotropes, such as nanoporous graphenes, graphynes, and 2D π-conjugated polymers. One of the latest examples is the biphenylene network (BPN), which was recently fabricated on gold and characterized with atomic precision. This gapless 2D organic material presents uncommon metallic conduction, which could help develop innovative carbon-based electronics. Here, using first principles calculations and quantum transport simulations, we provide new insights into some fundamental properties of BPN, which are key for its further technological exploitation. We predict that BPN hosts an unprecedented spin-polarized multiradical ground state, which has important implicatio

SUBMITTER: Alcon I 

PROVIDER: S-EPMC9100647 | biostudies-literature | 2022 May

REPOSITORIES: biostudies-literature