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Exciton-Phonon Coupling and Carrier Relaxation in PbS Quantum Dots: The Case of Carboxylate Ligands

Journal Article · · Journal of Materials Chemistry C
Some ligand-nanocrystal combinations exhibit rapid cooling of highly excited electronic states while other nanocrystal/shell combinations do not appear to have this effect. There remains a need to identify the distinguishing properties of ligand-nanocrystal interactions that avoid such rapid relaxation processes to guide the design of colloidal quantum dots (QDs) that take advantage of multiple exciton generation or hot-carrier extraction processes. Here, we use mid-infrared transient absorption spectroscopy to investigate the influence that carboxylate ligands with distinct excited state surface chemistries has on exciton-phonon coupling and hot exciton relaxation in PbS quantum dot (QD) films. Our findings reveal that despite significant differences in the excited state surface chemistry of oleate (OA) and iodide/mercaptopropionic acid (I-/MPA) ligands, PbS QD films passivated with both ligand types exhibit identical electronic relaxation rates and exciton-phonon coupling strengths within experimental precision. The data suggest that the inorganic lattice is the principal source of exciton-phonon coupling that influences hot exciton relaxation, rather than the vibronic modes of carboxylate ligands. The size-dependent nature of the exciton-phonon coupling strength is consistent with the localization of charge on the QD surfaces, which enhances the mixing of electronic and nuclear coordinates particularly when the electronic states are more quantum confined in smaller nanocrystals.
Research Organization:
National Renewable Energy Laboratory (NREL), Golden, CO (United States); Pennsylvania State Univ., University Park, PA (United States)
Sponsoring Organization:
National Science Foundation (NSF); USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division
Grant/Contract Number:
AC36-08GO28308; SC0019349
OSTI ID:
1832229
Alternate ID(s):
OSTI ID: 1839362
Report Number(s):
NREL/JA-5900-80431; MainId:42634; UUID:953a7f93-ff80-41f7-8854-d2f6be92e76b; MainAdminID:63309
Journal Information:
Journal of Materials Chemistry C, Journal Name: Journal of Materials Chemistry C Journal Issue: 41 Vol. 125
Country of Publication:
United States
Language:
English

References (72)

Colloidal PbS Nanocrystals with Size-Tunable Near-Infrared Emission: Observation of Post-Synthesis Self-Narrowing of the Particle Size Distribution journal November 2003
Relationships between the carbon-oxygen stretching frequencies of carboxylato complexes and the type of carboxylate coordination journal October 1980
Multiple exciton dissociation and hot electron extraction by ultrafast interfacial electron transfer from PbS QDs journal March 2014
Solar cells from colloidal nanocrystals: Fundamentals, materials, devices, and economics journal August 2009
Tabulated values of the Shockley–Queisser limit for single junction solar cells journal June 2016
The Chemical Environments of Oleate Species within Samples of Oleate-Coated PbS Quantum Dots journal July 2013
Quantum Dot Solar Cell Fabrication Protocols journal October 2016
Colloidal Quantum Dot Solar Cells journal June 2015
Spectroscopic and Device Aspects of Nanocrystal Quantum Dots journal September 2016
Size-Dependent Exciton–Phonon Coupling in CdSe Nanocrystals through Resonance Raman Excitation Profile Analysis journal March 2015
Computational Study of the Resonance Enhancement of Raman Signals of Ligands Adsorbed to CdSe Clusters through Photoexcitation of the Cluster journal April 2016
Resonance Raman Investigation of the Interaction between Aromatic Dithiocarbamate Ligands and CdSe Quantum Dots journal March 2017
Direct Observation of Vibronic Coupling between Excitonic States of CdSe Nanocrystals and Their Passivating Ligands journal February 2019
Dynamic Ligand Surface Chemistry of Excited PbS Quantum Dots journal March 2020
Synthetic Conditions for High-Accuracy Size Control of PbS Quantum Dots journal May 2015
Evidence in Support of Exciton to Ligand Vibrational Coupling in Colloidal Quantum Dots journal October 2015
Charge Trapping versus Exciton Delocalization in CdSe Quantum Dots journal October 2017
Bandgap Inhomogeneity of a PbSe Quantum Dot Ensemble from Two-Dimensional Spectroscopy and Comparison to Size Inhomogeneity from Electron Microscopy journal January 2017
Charge Carrier Hopping Dynamics in Homogeneously Broadened PbS Quantum Dot Solids journal January 2017
Probing Homogeneous Line Broadening in CdSe Nanocrystals Using Multidimensional Electronic Spectroscopy journal April 2017
Effect of Interfacial Alloying versus “Volume Scaling” on Auger Recombination in Compositionally Graded Semiconductor Quantum Dots journal August 2017
Comparison of Phonon Damping Behavior in Quantum Dots Capped with Organic and Inorganic Ligands journal May 2018
Subpicosecond Photoinduced Hole Transfer from a CdS Quantum Dot to a Molecular Acceptor Bound Through an Exciton-Delocalizing Ligand journal May 2016
Electron–Phonon Coupling and Resonant Relaxation from 1D and 1P States in PbS Quantum Dots journal May 2018
Unraveling the Structure and Dynamics of Excitons in Semiconductor Quantum Dots journal January 2011
Lead Salt Quantum Dots:  the Limit of Strong Quantum Confinement journal November 2000
The Architecture of Colloidal Quantum Dot Solar Cells: Materials to Devices journal September 2013
Semiconductor Quantum Dots and Quantum Dot Arrays and Applications of Multiple Exciton Generation to Third-Generation Photovoltaic Solar Cells journal November 2010
Watching Electrons Move in Real Time:  Ultrafast Infrared Spectroscopy of a Polymer Blend Photovoltaic Material journal December 2007
Surface-Amplified Ligand Disorder in CdSe Quantum Dots Determined by Electron and Coherent Vibrational Spectroscopies journal May 2011
Reversible Surface Electronic Traps in PbS Quantum Dot Solids Induced by an Order–Disorder Phase Transition in Capping Molecules journal April 2012
Near Unity Quantum Yield of Light-Driven Redox Mediator Reduction and Efficient H 2 Generation Using Colloidal Nanorod Heterostructures journal July 2012
Influence of Ligand Structure on Excited State Surface Chemistry of Lead Sulfide Quantum Dots journal August 2021
N-Heterocyclic Carbenes as Reversible Exciton-Delocalizing Ligands for Photoluminescent Quantum Dots journal January 2020
Interband and Intraband Optical Studies of PbSe Colloidal Quantum Dots journal October 2002
Carrier Relaxation Dynamics in Lead Sulfide Colloidal Quantum Dots journal February 2008
Hot Electron Extraction From Colloidal Quantum Dots journal November 2009
Highly Efficient Multiple Exciton Generation in Colloidal PbSe and PbS Quantum Dots journal May 2005
Multiple Exciton Generation in Films of Electronically Coupled PbSe Quantum Dots journal June 2007
Bulklike Hot Carrier Dynamics in Lead Sulfide Quantum Dots journal July 2010
Anomalous Independence of Multiple Exciton Generation on Different Group IV−VI Quantum Dot Architectures journal April 2011
Enhanced Hot-Carrier Cooling and Ultrafast Spectral Diffusion in Strongly Coupled PbSe Quantum-Dot Solids journal December 2011
Size and Composition Dependent Multiple Exciton Generation Efficiency in PbS, PbSe, and PbS x Se 1– x Alloyed Quantum Dots journal June 2013
Quantum Confined Electron–Phonon Interaction in Silicon Nanocrystals journal February 2015
Controlled Alloying of the Core–Shell Interface in CdSe/CdS Quantum Dots for Suppression of Auger Recombination journal April 2013
A Phonon Scattering Bottleneck for Carrier Cooling in Lead Chalcogenide Nanocrystals journal January 2015
Real-Time Observation of Ultrafast Intraband Relaxation and Exciton Multiplication in PbS Quantum Dots journal February 2014
Multiple exciton generation for photoelectrochemical hydrogen evolution reactions with quantum yields exceeding 100% journal April 2017
Crystal symmetry breaking and vacancies in colloidal lead chalcogenide quantum dots journal June 2016
The promise and challenge of nanostructured solar cells journal December 2014
Observation of a hot-phonon bottleneck in lead-iodide perovskites journal October 2015
Hot-electron transfer in quantum-dot heterojunction films journal June 2018
Intraband relaxation in CdSe nanocrystals and the strong influence of the surface ligands journal August 2005
PbS colloidal quantum dot photoconductive photodetectors: Transport, traps, and gain journal October 2007
Resonance Raman studies of the ground and lowest electronic excited state in CdS nanocrystals journal June 1993
Multiple exciton generation in quantum dots versus singlet fission in molecular chromophores for solar photon conversion
  • Beard, Matthew C.; Johnson, Justin C.; Luther, Joseph M.
  • Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 373, Issue 2044 https://doi.org/10.1098/rsta.2014.0412
journal June 2015
Theory of surface phonons in amorphous silica journal June 1978
Theory of the linear and nonlinear optical properties of semiconductor microcrystallites journal May 1987
Anharmonicity and disorder on the Cu(110) surface journal December 1991
Raman-scattering study of exciton-phonon coupling in PbS nanocrystals journal April 1997
Intraband relaxation in CdSe quantum dots journal July 1999
Unified picture of electron and hole relaxation pathways in semiconductor quantum dots journal June 2007
Observation of Coupled Vibrational Modes of a Semiconductor Nanocrystal journal February 1996
Enhanced Polar Exciton-LO-Phonon Interaction in Quantum Dots journal November 1999
Breaking the Phonon Bottleneck in Semiconductor Nanocrystals via Multiphonon Emission Induced by Intrinsic Nonadiabatic Interactions journal October 2005
Breaking the Phonon Bottleneck for Holes in Semiconductor Quantum Dots journal April 2007
Slow Electron Cooling in Colloidal Quantum Dots journal November 2008
Peak External Photocurrent Quantum Efficiency Exceeding 100% via MEG in a Quantum Dot Solar Cell journal December 2011
Semiconductor Clusters, Nanocrystals, and Quantum Dots journal February 1996
S PECTROSCOPY AND H OT E LECTRON R ELAXATION D YNAMICS IN S EMICONDUCTOR Q UANTUM W ELLS AND Q UANTUM D OTS journal October 2001
Electronic structure and optical properties of PbS and PbSe quantum dots journal January 1997
Quantum Dots and Their Multimodal Applications: A Review journal March 2010