Tuning electronic and magnetic properties in monolayer MoSe2 by metal adsorption.

We have systematically explored the electronic structures and magnetic properties of metal Pd, Pt, Cu, Ag, Au and Zn adsorbed MoSe 2 monolayer by means of first-principles calculations. It reveals that stable chemical adsorption has been formed between the adatoms Pd, Pt, Cu, Ag, Au and MoSe 2 monolayer, however, weak physical interaction is found between Zn and MoSe 2 monolayer owing to the small adsorption energy. Both the framework structure and electronic property of the metal adsorbed MoSe 2 monolayer are slightly tuned by the adatoms. More importantly, magnetic character is introduced in Cu, Ag and Au systems. [ABSTRACT FROM AUTHOR]