Robust estimation of charge carrier diffusivity using transient photoluminescence microscopy

Nagaya Wong, Narumi; Ha, Seung Kyun; Williams, Kristopher; Shcherbakov-Wu, Wenbi; Swan, James W.; Tisdale, William A.

doi:10.1063/5.0100075

Robust estimation of charge carrier diffusivity using transient photoluminescence microscopy

Journal Article · Wed Sep 14 00:00:00 EDT 2022 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/5.0100075· OSTI ID:1979128

^[1]; ^[2]; Williams, Kristopher ^[2]; ^[2]; ^[2]; ^[2]

Massachusetts Institute of Technology (MIT), Cambridge, MA (United States); Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
Massachusetts Institute of Technology (MIT), Cambridge, MA (United States)

Transient microscopy has emerged as a powerful tool for imaging the diffusion of excitons and free charge carriers in optoelectronic materials. In many excitonic materials, extraction of diffusion coefficients can be simplified because of the linear relationship between signal intensity and local excited state population. However, in materials where transport is dominated by free charge carriers, extracting diffusivities accurately from multidimensional data is complicated by the nonlinear dependence of the measured signal on the local charge carrier density. To obtain accurate estimates of charge carrier diffusivity from transient microscopy data, statistically robust fitting algorithms coupled to efficient 3D numerical solvers that faithfully relate local carrier dynamics to raw experimental measurables are sometimes needed. Here, we provide a detailed numerical framework for modeling the spatiotemporal dynamics of free charge carriers in bulk semiconductors with significant solving speed reduction and for simulating the corresponding transient photoluminescence microscopy data. To demonstrate the utility of this approach, we apply a fitting algorithm using a Markov chain Monte Carlo sampler to experimental data on bulk CdS and methylammonium lead bromide (MAPbBr₃) crystals. Parameter analyses reveal that transient photoluminescence microscopy can be used to obtain robust estimates of charge carrier diffusivities in optoelectronic materials of interest, but that other experimental approaches should be used for obtaining carrier recombination constants. Additionally, simplifications can be made to the fitting model depending on the experimental conditions and material systems studied. Our open-source simulation code and fitting algorithm are made freely available to the scientific community.

View Accepted Manuscript (DOE)

Research Organization:: Massachusetts Institute of Technology (MIT), Cambridge, MA (United States)

Sponsoring Organization:: MathWorks Engineering Fellowship; USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0019345

OSTI ID:: 1979128

Alternate ID(s):: OSTI ID: 1887299

Journal Information:: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 10 Vol. 157; ISSN 0021-9606

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

References (56)

Intrinsic Charge Transport across Phase Transitions in Hybrid Organo-Inorganic Perovskites Yi, Hee Taek; Wu, Xiaoxi; Zhu, Xiaoyang Advanced Materials, Vol. 28, Issue 30 https://doi.org/10.1002/adma.201600011	journal	May 2016
Introduction to Evolutionary Computing Eiben, A. E.; Smith, J. E. Natural Computing Series https://doi.org/10.1007/978-3-662-05094-1	book	January 2003
�ber die partiellen Differenzengleichungen der mathematischen Physik Courant, R.; Friedrichs, K.; Lewy, H. Mathematische Annalen, Vol. 100, Issue 1 https://doi.org/10.1007/bf01448839	journal	December 1928
Picosecond transient grating measurements of singlet exciton transport in anthracene single crystals Rose, Todd S.; Righini, Roberto; Fayer, M. D. Chemical Physics Letters, Vol. 106, Issue 1-2 https://doi.org/10.1016/0009-2614(84)87003-7	journal	April 1984
Determination of the anisotropic ambipolar diffusion coefficient of CdS at room temperature Riblet, Ph.; Spiegelberg, Ch.; Faller, P. Optical Materials, Vol. 3, Issue 2 https://doi.org/10.1016/0925-3467(94)90017-5	journal	June 1994
Pump–probe microscopy: Visualization and spectroscopy of ultrafast dynamics at the nanoscale Grumstrup, Erik M.; Gabriel, Michelle M.; Cating, Emma E. M. Chemical Physics, Vol. 458 https://doi.org/10.1016/j.chemphys.2015.07.006	journal	September 2015
Optical nonlinearities and photo-excited carrier lifetime in CdS at 532 nm Li, H. P.; Kam, C. H.; Lam, Y. L. Optics Communications, Vol. 190, Issue 1-6 https://doi.org/10.1016/s0030-4018(01)01066-5	journal	April 2001
Recombination in Semiconductors Landsberg, Peter T. Cambridge University Press https://doi.org/10.1017/CBO9780511470769	book	January 2009
Markov Chain Monte Carlo Sampling for Target Analysis of Transient Absorption Spectra Ashner, Matthew N.; Winslow, Samuel W.; Swan, James W. The Journal of Physical Chemistry A, Vol. 123, Issue 17 https://doi.org/10.1021/acs.jpca.9b00873	journal	March 2019
Comparison of Recombination Dynamics in CH ₃ NH ₃ PbBr ₃ and CH ₃ NH ₃ PbI ₃ Perovskite Films: Influence of Exciton Binding Energy Yang, Ye; Yang, Mengjin; Li, Zhen The Journal of Physical Chemistry Letters, Vol. 6, Issue 23 https://doi.org/10.1021/acs.jpclett.5b02290	journal	November 2015
Photon Reabsorption Masks Intrinsic Bimolecular Charge-Carrier Recombination in CH ₃ NH ₃ PbI ₃ Perovskite Crothers, Timothy W.; Milot, Rebecca L.; Patel, Jay B. Nano Letters, Vol. 17, Issue 9 https://doi.org/10.1021/acs.nanolett.7b02834	journal	August 2017
Long-Range Exciton Diffusion in Two-Dimensional Assemblies of Cesium Lead Bromide Perovskite Nanocrystals Penzo, Erika; Loiudice, Anna; Barnard, Edward S. ACS Nano, Vol. 14, Issue 6 https://doi.org/10.1021/acsnano.0c01536	journal	May 2020
Interlayer Exciton Transport in MoSe₂/WSe₂ Heterostructures Li, Zidong; Lu, Xiaobo; Cordovilla Leon, Darwin F. ACS Nano, Vol. 15, Issue 1 https://doi.org/10.1021/acsnano.0c08981	journal	January 2021
Impact of Photon Recycling, Grain Boundaries, and Nonlinear Recombination on Energy Transport in Semiconductors deQuilettes, Dane W.; Brenes, Roberto; Laitz, Madeleine ACS Photonics, Vol. 9, Issue 1 https://doi.org/10.1021/acsphotonics.1c01186	journal	December 2021
Direct Characterization of Carrier Diffusion in Halide-Perovskite Thin Films Using Transient Photoluminescence Imaging Li, Wenhao; Huang, Matthew Shao Ran; Yadavalli, Srinivas K. ACS Photonics, Vol. 6, Issue 10 https://doi.org/10.1021/acsphotonics.9b00778	journal	August 2019
Introduction to Organic Thin Film Transistors and Design of n-Channel Organic Semiconductors Newman, Christopher R.; Frisbie, C. Daniel; da Silva Filho, Demetrio A. Chemistry of Materials, Vol. 16, Issue 23, p. 4436-4451 https://doi.org/10.1021/cm049391x	journal	August 2004
Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties Stoumpos, Constantinos C.; Malliakas, Christos D.; Kanatzidis, Mercouri G. Inorganic Chemistry, Vol. 52, Issue 15, p. 9019-9038 https://doi.org/10.1021/ic401215x	journal	July 2013
Determination of Exciton Diffusion Length by Transient Photoluminescence Quenching and Its Application to Quantum Dot Films Lee, Elizabeth M. Y.; Tisdale, William A. The Journal of Physical Chemistry C, Vol. 119, Issue 17 https://doi.org/10.1021/jp512634c	journal	April 2015
Direct Imaging of Free Carrier and Trap Carrier Motion in Silicon Nanowires by Spatially-Separated Femtosecond Pump–Probe Microscopy Gabriel, Michelle M.; Kirschbrown, Justin R.; Christesen, Joseph D. Nano Letters, Vol. 13, Issue 3 https://doi.org/10.1021/nl400265b	journal	February 2013
Subdiffusive Exciton Transport in Quantum Dot Solids Akselrod, Gleb M.; Prins, Ferry; Poulikakos, Lisa V. Nano Letters, Vol. 14, Issue 6 https://doi.org/10.1021/nl501190s	journal	May 2014
Extended carrier lifetimes and diffusion in hybrid perovskites revealed by Hall effect and photoconductivity measurements Chen, Y.; Yi, H. T.; Wu, X. Nature Communications, Vol. 7, Issue 1 https://doi.org/10.1038/ncomms12253	journal	August 2016
Visualization of exciton transport in ordered and disordered molecular solids Akselrod, Gleb M.; Deotare, Parag B.; Thompson, Nicholas J. Nature Communications, Vol. 5, Issue 1 https://doi.org/10.1038/ncomms4646	journal	April 2014
High-quality bulk hybrid perovskite single crystals within minutes by inverse temperature crystallization Saidaminov, Makhsud I.; Abdelhady, Ahmed L.; Murali, Banavoth Nature Communications, Vol. 6, Article No. 7586 https://doi.org/10.1038/ncomms8586	journal	July 2015
Top and bottom surfaces limit carrier lifetime in lead iodide perovskite films Yang, Ye; Yang, Mengjin; Moore, David T. Nature Energy, Vol. 2, Issue 2 https://doi.org/10.1038/nenergy.2016.207	journal	January 2017
Tailored exciton diffusion in organic photovoltaic cells for enhanced power conversion efficiency Menke, S. Matthew; Luhman, Wade A.; Holmes, Russell J. Nature Materials, Vol. 12, Issue 2 https://doi.org/10.1038/nmat3467	journal	November 2012
Efficient metal halide perovskite light-emitting diodes with significantly improved light extraction on nanophotonic substrates Zhang, Qianpeng; Tavakoli, Mohammad Mahdi; Gu, Leilei Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-019-08561-y	journal	February 2019
Exciton diffusion in two-dimensional metal-halide perovskites Seitz, Michael; Magdaleno, Alvaro J.; Alcázar-Cano, Nerea Nature Communications, Vol. 11, Issue 1 https://doi.org/10.1038/s41467-020-15882-w	journal	April 2020
Imaging material functionality through three-dimensional nanoscale tracking of energy flow Delor, Milan; Weaver, Hannah L.; Yu, QinQin Nature Materials, Vol. 19, Issue 1 https://doi.org/10.1038/s41563-019-0498-x	journal	October 2019
Multi-cation perovskites prevent carrier reflection from grain surfaces Saidaminov, Makhsud I.; Williams, Kristopher; Wei, Mingyang Nature Materials, Vol. 19, Issue 4 https://doi.org/10.1038/s41563-019-0602-2	journal	February 2020
A carrier density dependent diffusion coefficient, recombination rate and diffusion length in MAPbI₃ and MAPbBr₃ crystals measured under one- and two-photon excitations Ščajev, Patrik; Miasojedovas, Saulius; Juršėnas, Saulius Journal of Materials Chemistry C, Vol. 8, Issue 30 https://doi.org/10.1039/D0TC02283G	journal	January 2020
Recent progress of metal halide perovskite photodetectors Dong, Yuhui; Zou, Yousheng; Song, Jizhong Journal of Materials Chemistry C, Vol. 5, Issue 44 https://doi.org/10.1039/c7tc03612d	journal	January 2017
Exciton diffusion lengths of organic semiconductor thin films measured by spectrally resolved photoluminescence quenching Lunt, Richard R.; Giebink, Noel C.; Belak, Anna A. Journal of Applied Physics, Vol. 105, Issue 5 https://doi.org/10.1063/1.3079797	journal	March 2009
Optical properties of wurtzite CdS Ninomiya, Susumu; Adachi, Sadao Journal of Applied Physics, Vol. 78, Issue 2 https://doi.org/10.1063/1.360355	journal	July 1995
Characterization of colloidal nanocrystal surface structure using small angle neutron scattering and efficient Bayesian parameter estimation Winslow, Samuel W.; Shcherbakov-Wu, Wenbi; Liu, Yun The Journal of Chemical Physics, Vol. 150, Issue 24 https://doi.org/10.1063/1.5108904	journal	June 2019
Diffusion dynamics of valley excitons by transient grating spectroscopy in monolayer WSe ₂ Wang, Jing; Guo, Yang; Huang, Yuan Applied Physics Letters, Vol. 115, Issue 13 https://doi.org/10.1063/1.5116263	journal	September 2019
Mechanism of charge transport in self-organizing organic materials Grozema, Ferdinand C.; Siebbeles, Laurens D. A. International Reviews in Physical Chemistry, Vol. 27, Issue 1 https://doi.org/10.1080/01442350701782776	journal	January 2008
Bayesian methods for cosmological parameter estimation from cosmic microwave background measurements Christensen, Nelson; Meyer, Renate; Knox, Lloyd Classical and Quantum Gravity, Vol. 18, Issue 14 https://doi.org/10.1088/0264-9381/18/14/306	journal	June 2001
Beyond Bulk Lifetimes: Insights into Lead Halide Perovskite Films from Time-Resolved Photoluminescence Staub, Florian; Hempel, Hannes; Hebig, Jan-Christoph Physical Review Applied, Vol. 6, Issue 4 https://doi.org/10.1103/physrevapplied.6.044017	journal	October 2016
Exciton Diffusion and Halo Effects in Monolayer Semiconductors Kulig, Marvin; Zipfel, Jonas; Nagler, Philipp Physical Review Letters, Vol. 120, Issue 20 https://doi.org/10.1103/physrevlett.120.207401	journal	May 2018
Time-resolved imaging of carrier transport in halide perovskite thin films and evidence for nondiffusive transport Sridharan, Aravindan; Noel, Nakita K.; Hwang, Hyeon Physical Review Materials, Vol. 3, Issue 12 https://doi.org/10.1103/physrevmaterials.3.125403	journal	December 2019
Carrier dynamics in semiconductors studied with time-resolved terahertz spectroscopy Ulbricht, Ronald; Hendry, Euan; Shan, Jie Reviews of Modern Physics, Vol. 83, Issue 2 https://doi.org/10.1103/revmodphys.83.543	journal	June 2011
Fast and reliable Markov chain Monte Carlo technique for cosmological parameter estimation Dunkley, Joanna; Bucher, Martin; Ferreira, Pedro G. Monthly Notices of the Royal Astronomical Society, Vol. 356, Issue 3 https://doi.org/10.1111/j.1365-2966.2004.08464.x	journal	January 2005
Measurement and simulation of charge diffusion in a small-pixel charge-coupled device LaMarr, Beverly J.; Prigozhin, Gregory Y.; Miller, Eric D. Journal of Astronomical Telescopes, Instruments, and Systems, Vol. 8, Issue 01 https://doi.org/10.1117/1.jatis.8.1.016004	journal	February 2022
PbSe Nanocrystal Solids for n- and p-Channel Thin Film Field-Effect Transistors Talapin, D. V. Science, Vol. 310, Issue 5745, p. 86-89 https://doi.org/10.1126/science.1116703	journal	October 2005
Electron-Hole Diffusion Lengths Exceeding 1 Micrometer in an Organometal Trihalide Perovskite Absorber Stranks, S. D.; Eperon, G. E.; Grancini, G. Science, Vol. 342, Issue 6156, p. 341-344 https://doi.org/10.1126/science.1243982	journal	October 2013
Impact of microstructure on local carrier lifetime in perovskite solar cells de Quilettes, D. W.; Vorpahl, S. M.; Stranks, S. D. Science, Vol. 348, Issue 6235 https://doi.org/10.1126/science.aaa5333	journal	April 2015
Photon recycling in lead iodide perovskite solar cells Pazos-Outon, L. M.; Szumilo, M.; Lamboll, R. Science, Vol. 351, Issue 6280 https://doi.org/10.1126/science.aaf1168	journal	March 2016
Sparse Matrices in MATLAB: Design and Implementation Gilbert, John R.; Moler, Cleve; Schreiber, Robert SIAM Journal on Matrix Analysis and Applications, Vol. 13, Issue 1 https://doi.org/10.1137/0613024	journal	January 1992
On the Construction and Comparison of Difference Schemes Strang, Gilbert SIAM Journal on Numerical Analysis, Vol. 5, Issue 3 https://doi.org/10.1137/0705041	journal	September 1968
Hall Mobility of Holes in CdS Crystals Onuki, Masami; Hase, Nobuyasu Journal of the Physical Society of Japan, Vol. 20, Issue 1 https://doi.org/10.1143/jpsj.20.171	journal	January 1965
Ultrafast Dynamic Microscopy of Carrier and Exciton Transport Zhu, Tong; Snaider, Jordan M.; Yuan, Long Annual Review of Physical Chemistry, Vol. 70, Issue 1 https://doi.org/10.1146/annurev-physchem-042018-052605	journal	June 2019
Spatially Resolved Photogenerated Exciton and Charge Transport in Emerging Semiconductors Ginsberg, Naomi S.; Tisdale, William A. Annual Review of Physical Chemistry, Vol. 71, Issue 1 https://doi.org/10.1146/annurev-physchem-052516-050703	journal	April 2020
Transient optical nonlinearities in CdS studied by laser-induced grating spectroscopy at room temperature Kippelen, B.; Grun, J. B.; Hönerlage, B. Journal of the Optical Society of America B, Vol. 8, Issue 11 https://doi.org/10.1364/josab.8.002363	journal	November 1991
Imaging the extent of plasmon excitation in Au nanowires using pump-probe microscopy Lo, Shun Shang; Shi, Hong Yan; Huang, Libai Optics Letters, Vol. 38, Issue 8 https://doi.org/10.1364/ol.38.001265	journal	January 2013
Diffusion-Driven Charge Transport in Light Emitting Devices Kim, Iurii; Kivisaari, Pyry; Oksanen, Jani Materials, Vol. 10, Issue 12 https://doi.org/10.3390/ma10121421	journal	December 2017
Perovskites-Based Solar Cells: A Review of Recent Progress, Materials and Processing Methods Shi, Zhengqi; Jayatissa, Ahalapitiya Materials, Vol. 11, Issue 5 https://doi.org/10.3390/ma11050729	journal	May 2018

Similar Records

Temperature-Dependent Intraband Relaxation of Hybrid Perovskites

Journal Article · Sun Aug 25 20:00:00 EDT 2019 · Journal of Physical Chemistry Letters · OSTI ID:1574380

Multi-cation perovskites prevent carrier reflection from grain surfaces

Journal Article · Sun Feb 09 19:00:00 EST 2020 · Nature Materials · OSTI ID:1803715

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
Monte Carlo methods
charge recombination
excitons
microscopy
photoluminescence
semiconductors
statistical analysis

Robust estimation of charge carrier diffusivity using transient photoluminescence microscopy

Citation Formats

References (56)

Similar Records

Related Subjects