Determining Atomic-Scale Structure and Composition of Organo-Lead Halide Perovskites by Combining High-Resolution X-ray Absorption Spectroscopy and First-Principles Calculations

Drisdell, Walter S.; Leppert, Linn; Sutter-Fella, Carolin M.; Liang, Yufeng; Li, Yanbo; Ngo, Quynh P.; Wan, Liwen F.; Gul, Sheraz; Kroll, Thomas; Sokaras, Dimosthenis; Javey, Ali; Yano, Junko; Neaton, Jeffrey B.; Toma, Francesca M.; Prendergast, David; Sharp, Ian D.

doi:10.1021/acsenergylett.7b00182

Title: Determining Atomic-Scale Structure and Composition of Organo-Lead Halide Perovskites by Combining High-Resolution X-ray Absorption Spectroscopy and First-Principles Calculations

Journal Article · Thu Apr 20 00:00:00 EDT 2017 · ACS Energy Letters

DOI:https://doi.org/10.1021/acsenergylett.7b00182· OSTI ID:1379834

^[1]; Leppert, Linn ^[2];

^[1]; Liang, Yufeng ^[1];

^[1]; Ngo, Quynh P. ^[3]; Wan, Liwen F. ^[1]; Gul, Sheraz ^[1]; Kroll, Thomas ^[4]; Sokaras, Dimosthenis ^[4]; Javey, Ali ^[5];

^[1]; Neaton, Jeffrey B. ^[2]; Toma, Francesca M. ^[1]; Prendergast, David ^[1];

^[1]

Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Univ. of California, Berkeley, CA (United States)
Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
SLAC National Accelerator Lab., Menlo Park, CA (United States)
Univ. of California, Berkeley, CA (United States)

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Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-05CH11231; AC02-76SF00515; SC0004993

OSTI ID:: 1379834

Alternate ID(s):: OSTI ID: 1368759

Journal Information:: ACS Energy Letters, Vol. 2, Issue 5; ISSN 2380-8195

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 20 works

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Heteroleptic samarium( iii ) halide complexes probed by fluorescence-detected L ₃ -edge X-ray absorption spectroscopy Goodwin, Conrad A. P.; Réant, Benjamin L. L.; Kragskow, Jon G. C. Dalton Transactions, Vol. 47, Issue 31 https://doi.org/10.1039/c8dt01452c	journal	January 2018
The electronic structure and band interface of cesium bismuth iodide on a titania heterostructure using hard X-ray spectroscopy Phuyal, Dibya; Jain, Sagar M.; Philippe, Bertrand Journal of Materials Chemistry A, Vol. 6, Issue 20 https://doi.org/10.1039/c8ta00947c	journal	January 2018
Efficient simulation of near-edge x-ray absorption fine structure (NEXAFS) in density-functional theory: Comparison of core-level constraining approaches Michelitsch, Georg S.; Reuter, Karsten The Journal of Chemical Physics, Vol. 150, Issue 7 https://doi.org/10.1063/1.5083618	journal	February 2019
Understanding macroscale functionality of metal halide perovskites in terms of nanoscale heterogeneities Song, Tze-Bin; Sharp, Ian D.; Sutter-Fella, Carolin M. Journal of Physics: Energy, Vol. 1, Issue 1 https://doi.org/10.1088/2515-7655/aaeee5	journal	December 2018
X‐Ray Microscopy of Halide Perovskites: Techniques, Applications, and Prospects Kodur, Moses; Kumar, Rishi E.; Luo, Yanqi Advanced Energy Materials https://doi.org/10.1002/aenm.201903170	journal	January 2020

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