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. 2021 Sep 27;11(50):31776–31782. doi: 10.1039/d1ra05909b

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