Electron spin magnetism of zigzag graphene nanoribbon edge states

摘要

The electron spin states of zigzag graphene nanoribbon (ZGNR) edge play a pivotal role in the applications of graphene nanoribbons. However, the exact arrangements of the electron spins remain unclear to date. In this report, the electronic spin states of the ZGNR edge have been elucidated through a combination of quantum chemical investigation and previous electron spin resonance experiment observations. An alternating α and β spin configuration of the unpaired electrons along the ZGNR edge is established in ambient condition without any external magnetic field, and the origin of the spin magnetism of the ZGNR edge is revealed. It paves a pathway for the understanding and design of graphene based electronic and spintronic devices.