Dataset of "Tuning the morphology and energy levels in organic solar cells with metal- organic framework nanosheets"

Metal-organic framework nanosheets (MONs) have proved themselves to be usefuladditives for enhancing the performance of a variety of thin film solar cell devices. However,to date only isolated examples have been reported. In this work we take advantage of themodular structure of MONs in order to resolve the effect of their different structural andoptoelectronic features on the performance of organic photovoltaic (OPV) devices. Threedifferent MONs were synthesized using different combinations of two porphyrin-based ligandsmeso-tetracarboxyphenyl porphyrin (TCPP) or tetrapyridyl-porphyrin (TPyP) with either zincand/or copper ions and the effect of their addition to polythiophene-fullerene (P3HT-PCBM)OPV devices was investigated. The power conversion efficiency (PCE) of devices was found toapproximately double with the addition of MONs of Zn2(ZnTCPP), but was unchanged withthe addition of Cu2(ZnTPyP) and halved upon the addition of Cu2(CuTCPP) compared todevices without nanosheets. Our analysis indicates that there are three different mechanismsby which MONs can influence the photoactive layer – light absorption, energy level alignment,and morphological changes. Analysis of external quantum efficiency, UV-vis photoelectronspectroscopy data found that MONs have similar effects on light absorption and energy levelalignment. However, atomic force and Raman microscopy studies revealed that the nanosheetthickness and lateral size are crucial parameters in enabling the MONs to act as beneficialadditives resulting in an improvement of the OPV device performance. We anticipate thisstudy will aid in the design of MONs and other 2D materials for future use in other lightharvesting and emitting devices.