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We study the effect of surface adsorption of 27 different adatoms on theelectronic and magnetic properties of monolayer black phosphorus using densityfunctional theory. Choosing a few representative elements from each group,ranging from alkali metals (group I) to halogens (group VII), we calculate theband structure, density of states, magnetic moment and effective mass for theenergetically most stable location of the adatom on monolayer phosphorene. Wepredict that group I metals (Li, Na, K), and group III adatoms (Al, Ga, In) areeffective in enhancing the n-type mobile carrier density, with group IIIadatoms resulting in lower effective mass of the electrons, and thus highermobilities. Furthermore we find that the adatoms of transition metals Ti andFe, produce a finite magnetic moment (1.87 and 2.31 $\mu_B$) in monolayerphosphorene, with different band gap and electronic effective masses (and thusmobilities), which approximately differ by a factor of 10 for spin up and spindown electrons opening up the possibility for exploring spintronicapplications.

Effective Doping of Monolayer Phosphorene by Surface Adsorption of Atoms for Electronic and Spintronic Applications