The magnetic and electronic properties of MoS2 nanoribbons with zigzag and armchair edges are investigated using LSDA-DFT. We found that the properties of the nanoribbons are very different from bulk MoS2 due to edge states. Armchair nanoribbons could be metallic and exhibit a magnetic moment; however, when passivating with hydrogen, they become semiconducting. Zigzag nanoribbons are metallic and exhibit unusual magnetic properties regardless of passivation. Our results could explain the recent evidence of ferromagnetism in flat MoS2 clusters, and motivate the synthesis of novel MoS2 nanosystems.
All Science Journal Classification (ASJC) codes
- Materials Science(all)
- Mechanics of Materials
- Mechanical Engineering
- Electrical and Electronic Engineering