The Effects of Heteroatom Adsorption on the Electronic Properties of Phosphorene

Table 2

Favorable adsorption sites, binding energies (), and electronic and magnetic properties of adatoms on the phosphorene [17].

Adsorption on the black P sheet
Atom	Site	(eV)	(Å)	(Å)	(Å)	()	Properties
Li	H	1.93	1.43	2.48	0.12	—	n-type doping
Na	H	1.35	1.99	2.84	0.11	—	n-type doping
Be	H	1.79	0.69	2.07	0.39	—	Defect states in gap
Mg	H	0.66	1.78	2.70	0.26	—	Defect states in gap