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dc.contributor.authorSilver, Scott
dc.contributor.authorYin, Jun
dc.contributor.authorLi, Hong
dc.contributor.authorBrédas, Jean-Luc
dc.contributor.authorKahn, Antoine
dc.date.accessioned2018-03-11T06:54:10Z
dc.date.available2018-03-11T06:54:10Z
dc.date.issued2018-02-13
dc.identifier.citationSilver, S., Yin, J., Li, H., Brédas, J.-L., & Kahn, A. (2018). Characterization of the Valence and Conduction Band Levels of n = 1 2D Perovskites: A Combined Experimental and Theoretical Investigation. Advanced Energy Materials, 8(16), 1703468. doi:10.1002/aenm.201703468
dc.identifier.issn1614-6832
dc.identifier.doi10.1002/aenm.201703468
dc.identifier.urihttp://hdl.handle.net/10754/627244
dc.description.abstractThis study presents a combined experimental and theoretical study of the electronic structure of two 2D metal halide perovskite films. Ultraviolet and inverse photoemission spectroscopies are performed on solution-processed thin films of the n = 1 layered perovskite butylammonium lead iodide and bromide, BA2PbI4 and BA2PbBr4, characterized by optical absorption and X-ray diffraction, to determine their valence and conduction band densities of states, transport gaps, and exciton binding energies. The electron spectroscopy results are compared with the densities of states determined by density functional theory calculations. The remarkable agreement between experiment and calculation enables a detailed identification and analysis of the organic and inorganic contributions to the valence and conduction bands of these two hybrid perovskites. The electron affinity and ionization energies are found to be 3.1 and 5.8 eV for BA2PbI4, and 3.1 and 6.5 eV for BA2PbBr4. The exciton binding energies are estimated to be 260 and 300 meV for the two materials, respectively. The 2D lead iodide and bromide perovskites exhibit significantly less band dispersion and a larger density of states at the band edges than the 3D analogs. The effects of using various organic ligands are also discussed.
dc.description.sponsorshipWork at Princeton was supported in part by a grant from the US-Israel Binational Science Foundation (Grant # 2014357) and by a grant from the Princeton Environmental Institute and Andlinger Center. Work at the Georgia Institute of Technology was supported in part by the Georgia Research Alliance and ONR under Award No. N00014-17-1-2208. Work at King Abdullah University of Science and Technology was supported by KAUST Supercomputing Laboratory. Fruitful discussions with Prof. Omer Yaffe are gratefully acknowledged.
dc.publisherWiley
dc.relation.urlhttp://onlinelibrary.wiley.com/doi/10.1002/aenm.201703468/abstract
dc.relation.urlhttps://rss.onlinelibrary.wiley.com/doi/am-pdf/10.1002/aenm.201703468
dc.rightsThis is the peer reviewed version of the following article: Characterization of the Valence and Conduction Band Levels of n = 1 2D Perovskites: A Combined Experimental and Theoretical Investigation, which has been published in final form at http://doi.org/10.1002/aenm.201703468. This article may be used for non-commercial purposes in accordance With Wiley Terms and Conditions for self-archiving.
dc.rightsThis file is an open access version redistributed from: https://rss.onlinelibrary.wiley.com/doi/am-pdf/10.1002/aenm.201703468
dc.subjectDFT calculations
dc.subjectperovskites
dc.subjectphotoelectron spectroscopy
dc.subjectquantum wells
dc.subject2D materials
dc.titleCharacterization of the Valence and Conduction Band Levels of n = 1 2D Perovskites: A Combined Experimental and Theoretical Investigation
dc.typeArticle
dc.contributor.departmentKAUST Solar Center (KSC)
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.identifier.journalAdvanced Energy Materials
dc.eprint.versionPost-print
dc.contributor.institutionDepartment of Electrical Engineering; Princeton University; Princeton NJ 08544 USA
dc.contributor.institutionSchool of Chemistry and Biochemistry and Center for Organic Photonics and Electronics; Georgia Institute of Technology; Atlanta GA 30332-0400 USA
dc.identifier.volume8
dc.identifier.issue16
dc.identifier.pages1703468
kaust.personYin, Jun
dc.identifier.eid2-s2.0-85041894618
refterms.dateFOA2021-06-21T13:04:43Z
dc.date.published-online2018-02-13
dc.date.published-print2018-06


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