The TMAPhos systems have a trigonal pyramidal shape in the dopant region (Fig. ; TM-P3), displaying three TM-P bond lengths (d1, d2, and d3) in the range of 2.2-2.9 Å (Fig. ). d1 is equivalent to d 2 , and d 3 differ up to 0.13 Å compared to d 1 -d 2 (Fig ). In addition, the dopants are protruded over the phosphorene plane from ~1.05 to ~2.08 Å (dh) according to the increase in the atomic radius of the isolated dopant atom . Finally, the highest TM-P bond length (~2.8 Å)