Ontology highlight
ABSTRACT:
SUBMITTER: Wang Y
PROVIDER: S-EPMC4823719 | biostudies-literature | 2016 Apr
REPOSITORIES: biostudies-literature
Wang Yiren Y Li Sean S Yi Jiabao J
Scientific reports 20160407
First principle calculations are employed to calculate the electronic and magnetic properties of Co doped MoS2 by considering a variety of defects including all the possible defect complexes. The results indicate that pristine MoS2 is nonmagnetic. The materials with the existence of S vacancy or Mo vacancy alone are non-magnetic either. Further calculation demonstrates that Co substitution at Mo site leads to spin polarized state. Two substitutional CoMo defects tend to cluster and result in the ...[more]