%0 Journal Article %1 doi:10.1021/jacs.7b07223 %A Kubicki, Dominik J. %A Prochowicz, Daniel %A Hofstetter, Albert %A Zakeeruddin, Shaik M. %A Grätzel, Michael %A Emsley, Lyndon %D 0 %J Journal of the American Chemical Society %K NMR perovskite phase segregation %N 0 %P null %R 10.1021/jacs.7b07223 %T Phase Segregation in Cs-, Rb- and K-Doped Mixed-Cation (MA)x(FA)1–xPbI3 Hybrid Perovskites from Solid-State NMR %U http://dx.doi.org/10.1021/jacs.7b07223 %V 0 %X Hybrid (organic–inorganic) multication lead halide perovskites hold promise for a new generation of easily processable solar cells. Best performing compositions to date are multiple-cation solid alloys of formamidinium (FA), methylammonium (MA), cesium, and rubidium lead halides which provide power conversion efficiencies up to around 22\%. Here, we elucidate the atomic-level nature of Cs and Rb incorporation into the perovskite lattice of FA-based materials. We use 133Cs, 87Rb, 39K, 13C, and 14N solid-state MAS NMR to probe microscopic composition of Cs-, Rb-, K-, MA-, and FA-containing phases in double-, triple-, and quadruple-cation lead halides in bulk and in a thin film. Contrary to previous reports, we have found no proof of Rb or K incorporation into the 3D perovskite lattice in these systems. We also show that the structure of bulk mechanochemical perovskites bears close resemblance to that of thin films, making them a good benchmark for structural studies. These findings provide fundamental understanding of previously reported excellent photovoltaic parameters in these systems and their superior stability.

@article{doi:10.1021/jacs.7b07223, abstract = { Hybrid (organic–inorganic) multication lead halide perovskites hold promise for a new generation of easily processable solar cells. Best performing compositions to date are multiple-cation solid alloys of formamidinium (FA), methylammonium (MA), cesium, and rubidium lead halides which provide power conversion efficiencies up to around 22\%. Here, we elucidate the atomic-level nature of Cs and Rb incorporation into the perovskite lattice of FA-based materials. We use 133Cs, 87Rb, 39K, 13C, and 14N solid-state MAS NMR to probe microscopic composition of Cs-, Rb-, K-, MA-, and FA-containing phases in double-, triple-, and quadruple-cation lead halides in bulk and in a thin film. Contrary to previous reports, we have found no proof of Rb or K incorporation into the 3D perovskite lattice in these systems. We also show that the structure of bulk mechanochemical perovskites bears close resemblance to that of thin films, making them a good benchmark for structural studies. These findings provide fundamental understanding of previously reported excellent photovoltaic parameters in these systems and their superior stability. }, added-at = {2017-10-04T10:55:10.000+0200}, author = {Kubicki, Dominik J. and Prochowicz, Daniel and Hofstetter, Albert and Zakeeruddin, Shaik M. and Grätzel, Michael and Emsley, Lyndon}, biburl = {https://www.bibsonomy.org/bibtex/2c4f6ffa574146873e313bc091cb96656/fabianopkm}, description = {Phase Segregation in Cs-, Rb- and K-Doped Mixed-Cation (MA)x(FA)1–xPbI3 Hybrid Perovskites from Solid-State NMR - Journal of the American Chemical Society (ACS Publications)}, doi = {10.1021/jacs.7b07223}, eprint = {http://dx.doi.org/10.1021/jacs.7b07223}, interhash = {244c49de87bb5413a717b5537503844f}, intrahash = {c4f6ffa574146873e313bc091cb96656}, journal = {Journal of the American Chemical Society}, keywords = {NMR perovskite phase segregation}, note = {PMID: 28892374}, number = 0, pages = {null}, timestamp = {2017-10-04T10:55:10.000+0200}, title = {Phase Segregation in Cs-, Rb- and K-Doped Mixed-Cation (MA)x(FA)1–xPbI3 Hybrid Perovskites from Solid-State NMR}, url = {http://dx.doi.org/10.1021/jacs.7b07223}, volume = 0, year = 0 }