MoS2 nanoribbons: high stability and unusual electronic and magnetic properties.
First-principles computations were carried out to predict the stability and magnetic and electronic properties of MoS2 nanoribbons with either zigzag- or armchair-terminated edges. Zigzag nanoribbons show the ferromagnetic and metallic behavior, irrespective of the ribbon width and thickness. Armchair nanoribbons are nonmagnetic and semiconducting, and the band gaps converge to a constant value of approximately 0.56 eV as the ribbon width increases. The higher stability of MoS2 nanoribbons, compared with the experimentally available triangular MoS2 nanoclusters, invites the experimental realization of such novel ribbons in true nanoscale.
Li
Yafei
Y
Institute of New Energy Material Chemistry, Institute of Scientific Computing, Nankai University, Tianjin 300071, People's Republic of China.
Zhou
Zhen
Z
Zhang
Shengbai
S
Chen
Zhongfang
Z