Structural and adsorption properties of MAPbI3/phthalocyanine interfaces. The presented values are the minimum interface vertical distance (dint), adsorption energy (Eads) and adsorption site.
| Face-on | Edge-on | |||||
|---|---|---|---|---|---|---|
| d int (Å) | E ads (eV) | Site | d int (Å) | E ads (eV) | Site | |
| MAPbI3/ZnPc | 3.21 | −2.54 | Pb/I | 3.03 | −0.36 | Hollow |
| MAPbI3/CuPc | 3.16 | −2.59 | Pb | 3.02 | −0.34 | Hollow |