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Title: Exciton-Dominated Core-Level Absorption Spectra of Hybrid Organic–Inorganic Lead Halide Perovskites

In a combined theoretical and experimental work, we investigate X-ray absorption near-edge structure spectroscopy of the I L 3 and the Pb M 5 edges of the methylammonium lead iodide (MAPbI 3) hybrid inorganic-organic perovskite and its binary phase PbI 2. The absorption onsets are dominated by bound excitons with sizable binding energies of a few hundred millielectronvolts and pronounced anisotropy. The spectra of both materials exhibit remarkable similarities, suggesting that the fingerprints of core excitations in MAPbI 3 are essentially given by its inorganic component, with negligible influence from the organic groups. Furthermore, the theoretical analysis complementing experimental observations provides the conceptual insights required for a full characterization of this complex material.
Authors:
ORCiD logo [1] ; ORCiD logo [2] ; ORCiD logo [1] ;  [3] ; ORCiD logo [4] ;  [2] ;  [2] ; ORCiD logo [3] ; ORCiD logo [2] ; ORCiD logo [1]
  1. Humboldt-Univ. zu Berlin, Berlin (Germany)
  2. Helmholtz-Zentrum Berlin fur Materialien und Energie GmbH, Berlin (Germany)
  3. Univ. of Oxford, Oxford (United Kingdom)
  4. Univ. of Oxford, Oxford (United Kingdom); National Renewable Energy Lab. (NREL), Golden, CO (United States)
Publication Date:
Report Number(s):
NREL/JA-5900-71280
Journal ID: ISSN 1948-7185; TRN: US1802527
Grant/Contract Number:
AC36-08GO28308
Type:
Accepted Manuscript
Journal Name:
Journal of Physical Chemistry Letters
Additional Journal Information:
Journal Volume: 9; Journal Issue: 8; Journal ID: ISSN 1948-7185
Publisher:
American Chemical Society
Research Org:
National Renewable Energy Lab. (NREL), Golden, CO (United States)
Sponsoring Org:
USDOE Office of Energy Efficiency and Renewable Energy (EERE)
Country of Publication:
United States
Language:
English
Subject:
14 SOLAR ENERGY; 36 MATERIALS SCIENCE; x-ray absorption; inorganic-organic perovskites
OSTI Identifier:
1432605

Vorwerk, Christian, Hartmann, Claudia, Cocchi, Caterina, Sadoughi, Golnaz, Habisreutinger, Severin N., Felix, Roberto, Wilks, Regan G., Snaith, Henry J., Bar, Marcus, and Draxl, Claudia. Exciton-Dominated Core-Level Absorption Spectra of Hybrid Organic–Inorganic Lead Halide Perovskites. United States: N. p., Web. doi:10.1021/acs.jpclett.8b00378.
Vorwerk, Christian, Hartmann, Claudia, Cocchi, Caterina, Sadoughi, Golnaz, Habisreutinger, Severin N., Felix, Roberto, Wilks, Regan G., Snaith, Henry J., Bar, Marcus, & Draxl, Claudia. Exciton-Dominated Core-Level Absorption Spectra of Hybrid Organic–Inorganic Lead Halide Perovskites. United States. doi:10.1021/acs.jpclett.8b00378.
Vorwerk, Christian, Hartmann, Claudia, Cocchi, Caterina, Sadoughi, Golnaz, Habisreutinger, Severin N., Felix, Roberto, Wilks, Regan G., Snaith, Henry J., Bar, Marcus, and Draxl, Claudia. 2018. "Exciton-Dominated Core-Level Absorption Spectra of Hybrid Organic–Inorganic Lead Halide Perovskites". United States. doi:10.1021/acs.jpclett.8b00378.
@article{osti_1432605,
title = {Exciton-Dominated Core-Level Absorption Spectra of Hybrid Organic–Inorganic Lead Halide Perovskites},
author = {Vorwerk, Christian and Hartmann, Claudia and Cocchi, Caterina and Sadoughi, Golnaz and Habisreutinger, Severin N. and Felix, Roberto and Wilks, Regan G. and Snaith, Henry J. and Bar, Marcus and Draxl, Claudia},
abstractNote = {In a combined theoretical and experimental work, we investigate X-ray absorption near-edge structure spectroscopy of the I L3 and the Pb M5 edges of the methylammonium lead iodide (MAPbI3) hybrid inorganic-organic perovskite and its binary phase PbI2. The absorption onsets are dominated by bound excitons with sizable binding energies of a few hundred millielectronvolts and pronounced anisotropy. The spectra of both materials exhibit remarkable similarities, suggesting that the fingerprints of core excitations in MAPbI3 are essentially given by its inorganic component, with negligible influence from the organic groups. Furthermore, the theoretical analysis complementing experimental observations provides the conceptual insights required for a full characterization of this complex material.},
doi = {10.1021/acs.jpclett.8b00378},
journal = {Journal of Physical Chemistry Letters},
number = 8,
volume = 9,
place = {United States},
year = {2018},
month = {3}
}