Strongly Enhanced Photovoltaic Performance and Defect Physics of Air-Stable Bismuth Oxyiodide (BiOI)

R.L.Z.H. thanks Magdalene College, Cambridge. L.C.L. and J.L.M.-D. thank the EPRSC Centre for Doctoral Training: New and Sustainable Photovoltaics, and the Cambridge Winton Programme for the Physics of Sustainability for funding. T.N.H. thanks the Cambridge Graphene Centre, funded by the EPSRC. K.H.L.Z. was supported by the Herschel Smith fellowship. The U.S.-based theory and synthesis portions of this work were supported primarily as part of the Center for Next Generation Materials by Design (CNGMD), an Energy Frontier Research Center funded by the DOE Office of Science, Basic Energy Sciences under Contract No. DE-AC36-08GO28308. The MIT-based characterization portion of this work was supported primarily through a TOTAL SA research grant funded through MITei, as well as a SusChem grant funded by the National Science Foundation (No. CBET-1605495). The TCSPC work was supported as part of the Center for Excitonics, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award No. DE-SC0001088 (MIT). The computations were performed using resources sponsored by the Department of Energy’s Office of Energy Efficiency and Renewable Energy and located at the NREL. The authors also acknowledge the MRSEC Shared Experimental Facilities at MIT, supported by the National Science Foundation (No. DMF-08019762).