Please use this identifier to cite or link to this item: http://hdl.handle.net/10995/101612
Title: XPS evidence of degradation mechanism in CH3NH3PbI3 hybrid perovskite
Authors: Zhidkov, I. S.
Poteryaev, A. I.
Kukharenko, A. I.
Finkelstein, L. D.
Cholakh, S. O.
Akbulatov, A. F.
Troshin, P. A.
Chueh, C. -C.
Kurmaev, E. Z.
Issue Date: 2020
Publisher: Institute of Physics Publishing
Citation: XPS evidence of degradation mechanism in CH3NH3PbI3 hybrid perovskite / I. S. Zhidkov, A. I. Poteryaev, A. I. Kukharenko, et al. — DOI 10.1088/1361-648X/ab576f // Journal of Physics Condensed Matter. — 2020. — Vol. 32. — Iss. 9. — 095501.
Abstract: In this study, we investigate the photo-/thermal degradation mechanism of hybrid perovskites by using x-ray photoelectron (XPS) valence band (VB) spectra coupling with density functional theory (DFT) calculations. Herein, CH3NH3PbI3 is respectively subjected to irradiation with visible light and annealing at an exposure of 0-1000 h. It is found from XPS survey spectra that, in both cases (irradiation and annealing), a decrease in the I:Pb ratio is observed with aging time, which unambiguously indicates the formation of PbI2 as the product of photo/thermal degradation. The comparison of the XPS VB spectra of irradiated and annealed perovskites with the DFT calculations of CH3NH3PbI3 and PbI2 compounds have showed a systematic decrease in the contribution of I-5p states, which allows us to determine the respective threshold for degradation, which is 500 h for light irradiation and 200 h for annealing. This discrepancy might be due to the fact that the relaxation of thermal excitations of the system is carried out only by the phonons (which are non-radiative physical processes) while the radiative processes occurred during the photoexcitation will elastically or inelastically divert part of the external energy from the system to reduce its impact on perovskite degradation. © 2019 IOP Publishing Ltd.
Keywords: HYBRID HALIDE PEROVSKITES
PHOTOVOLTAICS
XPS
ANNEALING
DEGRADATION
DENSITY FUNCTIONAL THEORY
IRRADIATION
LAYERED SEMICONDUCTORS
LIGHT
PEROVSKITE
PHOTODEGRADATION
PHOTOELECTRON SPECTROSCOPY
X RAY PHOTOELECTRON SPECTROSCOPY
DEGRADATION MECHANISM
HALIDE PEROVSKITES
LIGHT IRRADIATIONS
PHOTOVOLTAICS
RADIATIVE PROCESS
THERMAL EXCITATION
VALENCE BAND SPECTRA
X-RAY PHOTOELECTRONS
LEAD COMPOUNDS
URI: http://hdl.handle.net/10995/101612
Access: info:eu-repo/semantics/openAccess
SCOPUS ID: 85077297673
PURE ID: 11728101
30c06504-4284-4e72-8dd3-506011264e15
ISSN: 9538984
DOI: 10.1088/1361-648X/ab576f
Appears in Collections:Научные публикации, проиндексированные в SCOPUS и WoS CC

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