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Title: Design Principles for Trap-Free CsPbX3 Nanocrystals: Enumerating and Eliminating Surface Halide Vacancies with Softer Lewis Bases

Abstract

We introduce a general surface passivation mechanism for cesium lead halide perovskite materials (CsPbX3, X = Cl, Br, I) that is supported by a combined experimental and theoretical study of the nanocrystal surface chemistry. A variety of spectroscopic methods are employed together with ab initio calculations to identify surface halide vacancies as the predominant source of charge trapping. The number of surface traps per nanocrystal is quantified by 1H NMR spectroscopy, and that number is consistent with a simple trapping model in which surface halide vacancies create deleterious under-coordinated lead atoms. These halide vacancies exhibit trapping behavior that differs among CsPbCl3, CsPbBr3, and CsPbI3. Ab initio calculations suggest that introduction of anionic X-type ligands can produce trap-free band gaps by altering the energetics of lead-based defect levels. General rules for selecting effective passivating ligand pairs are introduced by considering established principles of coordination chemistry. Introducing softer, anionic, X-type Lewis bases that target under-coordinated lead atoms results in absolute quantum yields approaching unity and monoexponential luminescence decay kinetics, thereby indicating full trap passivation. This work provides a systematic framework for preparing highly luminescent CsPbX3 nanocrystals with variable compositions and dimensionalities, thereby improving the fundamental understanding of these materials and informing futuremore » synthetic and post-synthetic efforts toward trap-free CsPbX3 nanocrystals.« less

Authors:
ORCiD logo [1];  [2];  [3]; ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1];  [3]; ORCiD logo [4]
  1. Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  2. Univ. of California, Berkeley, CA (United States)
  3. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  4. Univ. of California, Berkeley, CA (United States). Kavli Energy NanoScience Inst.; Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1542345
Grant/Contract Number:  
AC02-05CH11231
Resource Type:
Accepted Manuscript
Journal Name:
Journal of the American Chemical Society
Additional Journal Information:
Journal Volume: 140; Journal Issue: 50; Journal ID: ISSN 0002-7863
Publisher:
American Chemical Society (ACS)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Nenon, David P., Pressler, Kimo, Kang, Jun, Koscher, Brent A., Olshansky, Jacob H., Osowiecki, Wojciech T., Koc, Matthew A., Wang, Lin-Wang, and Alivisatos, A. Paul. Design Principles for Trap-Free CsPbX3 Nanocrystals: Enumerating and Eliminating Surface Halide Vacancies with Softer Lewis Bases. United States: N. p., 2018. Web. doi:10.1021/jacs.8b11035.
Nenon, David P., Pressler, Kimo, Kang, Jun, Koscher, Brent A., Olshansky, Jacob H., Osowiecki, Wojciech T., Koc, Matthew A., Wang, Lin-Wang, & Alivisatos, A. Paul. Design Principles for Trap-Free CsPbX3 Nanocrystals: Enumerating and Eliminating Surface Halide Vacancies with Softer Lewis Bases. United States. https://doi.org/10.1021/jacs.8b11035
Nenon, David P., Pressler, Kimo, Kang, Jun, Koscher, Brent A., Olshansky, Jacob H., Osowiecki, Wojciech T., Koc, Matthew A., Wang, Lin-Wang, and Alivisatos, A. Paul. Sun . "Design Principles for Trap-Free CsPbX3 Nanocrystals: Enumerating and Eliminating Surface Halide Vacancies with Softer Lewis Bases". United States. https://doi.org/10.1021/jacs.8b11035. https://www.osti.gov/servlets/purl/1542345.
@article{osti_1542345,
title = {Design Principles for Trap-Free CsPbX3 Nanocrystals: Enumerating and Eliminating Surface Halide Vacancies with Softer Lewis Bases},
author = {Nenon, David P. and Pressler, Kimo and Kang, Jun and Koscher, Brent A. and Olshansky, Jacob H. and Osowiecki, Wojciech T. and Koc, Matthew A. and Wang, Lin-Wang and Alivisatos, A. Paul},
abstractNote = {We introduce a general surface passivation mechanism for cesium lead halide perovskite materials (CsPbX3, X = Cl, Br, I) that is supported by a combined experimental and theoretical study of the nanocrystal surface chemistry. A variety of spectroscopic methods are employed together with ab initio calculations to identify surface halide vacancies as the predominant source of charge trapping. The number of surface traps per nanocrystal is quantified by 1H NMR spectroscopy, and that number is consistent with a simple trapping model in which surface halide vacancies create deleterious under-coordinated lead atoms. These halide vacancies exhibit trapping behavior that differs among CsPbCl3, CsPbBr3, and CsPbI3. Ab initio calculations suggest that introduction of anionic X-type ligands can produce trap-free band gaps by altering the energetics of lead-based defect levels. General rules for selecting effective passivating ligand pairs are introduced by considering established principles of coordination chemistry. Introducing softer, anionic, X-type Lewis bases that target under-coordinated lead atoms results in absolute quantum yields approaching unity and monoexponential luminescence decay kinetics, thereby indicating full trap passivation. This work provides a systematic framework for preparing highly luminescent CsPbX3 nanocrystals with variable compositions and dimensionalities, thereby improving the fundamental understanding of these materials and informing future synthetic and post-synthetic efforts toward trap-free CsPbX3 nanocrystals.},
doi = {10.1021/jacs.8b11035},
journal = {Journal of the American Chemical Society},
number = 50,
volume = 140,
place = {United States},
year = {Sun Dec 02 00:00:00 EST 2018},
month = {Sun Dec 02 00:00:00 EST 2018}
}

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Works referenced in this record:

Compact high-quality CdSe–CdS core–shell nanocrystals with narrow emission linewidths and suppressed blinking
journal, February 2013

  • Chen, Ou; Zhao, Jing; Chauhan, Vikash P.
  • Nature Materials, Vol. 12, Issue 5
  • DOI: 10.1038/nmat3539

Towards non-blinking colloidal quantum dots
journal, June 2008

  • Mahler, Benoit; Spinicelli, Piernicola; Buil, Stéphanie
  • Nature Materials, Vol. 7, Issue 8
  • DOI: 10.1038/nmat2222

Essentially Trap-Free CsPbBr 3 Colloidal Nanocrystals by Postsynthetic Thiocyanate Surface Treatment
journal, May 2017

  • Koscher, Brent A.; Swabeck, Joseph K.; Bronstein, Noah D.
  • Journal of the American Chemical Society, Vol. 139, Issue 19
  • DOI: 10.1021/jacs.7b02817

Quantum dot bioconjugates for imaging, labelling and sensing
journal, June 2005

  • Medintz, Igor L.; Uyeda, H. Tetsuo; Goldman, Ellen R.
  • Nature Materials, Vol. 4, Issue 6, p. 435-446
  • DOI: 10.1038/nmat1390

Semiconductor Nanocrystals as Fluorescent Biological Labels
patent, September 1998


Synthesis and characterization of nearly monodisperse CdE (E = sulfur, selenium, tellurium) semiconductor nanocrystallites
journal, September 1993

  • Murray, C. B.; Norris, D. J.; Bawendi, M. G.
  • Journal of the American Chemical Society, Vol. 115, Issue 19, p. 8706-8715
  • DOI: 10.1021/ja00072a025

Emergence of colloidal quantum-dot light-emitting technologies
journal, December 2012

  • Shirasaki, Yasuhiro; Supran, Geoffrey J.; Bawendi, Moungi G.
  • Nature Photonics, Vol. 7, Issue 1
  • DOI: 10.1038/nphoton.2012.328

Prospects of Colloidal Nanocrystals for Electronic and Optoelectronic Applications
journal, January 2010

  • Talapin, Dmitri V.; Lee, Jong-Soo; Kovalenko, Maksym V.
  • Chemical Reviews, Vol. 110, Issue 1
  • DOI: 10.1021/cr900137k

Full Color Emission from II-VI Semiconductor Quantum Dot-Polymer Composites
journal, July 2000


Nanocrystals of Cesium Lead Halide Perovskites (CsPbX 3 , X = Cl, Br, and I): Novel Optoelectronic Materials Showing Bright Emission with Wide Color Gamut
journal, February 2015

  • Protesescu, Loredana; Yakunin, Sergii; Bodnarchuk, Maryna I.
  • Nano Letters, Vol. 15, Issue 6
  • DOI: 10.1021/nl5048779

Fast Anion-Exchange in Highly Luminescent Nanocrystals of Cesium Lead Halide Perovskites (CsPbX 3 , X = Cl, Br, I)
journal, July 2015


Tuning the Optical Properties of Cesium Lead Halide Perovskite Nanocrystals by Anion Exchange Reactions
journal, August 2015

  • Akkerman, Quinten A.; D’Innocenzo, Valerio; Accornero, Sara
  • Journal of the American Chemical Society, Vol. 137, Issue 32
  • DOI: 10.1021/jacs.5b05602

Quantum dot-induced phase stabilization of  -CsPbI3 perovskite for high-efficiency photovoltaics
journal, October 2016


Lasing in robust cesium lead halide perovskite nanowires
journal, February 2016

  • Eaton, Samuel W.; Lai, Minliang; Gibson, Natalie A.
  • Proceedings of the National Academy of Sciences, Vol. 113, Issue 8
  • DOI: 10.1073/pnas.1600789113

Bright Perovskite Nanocrystal Films for Efficient Light-Emitting Devices
journal, November 2016


High-Efficiency and Air-Stable Perovskite Quantum Dots Light-Emitting Diodes with an All-Inorganic Heterostructure
journal, December 2016


Band Edge Energies and Excitonic Transition Probabilities of Colloidal CsPbX 3 (X = Cl, Br, I) Perovskite Nanocrystals
journal, September 2016


Properties and potential optoelectronic applications of lead halide perovskite nanocrystals
journal, November 2017

  • Kovalenko, Maksym V.; Protesescu, Loredana; Bodnarchuk, Maryna I.
  • Science, Vol. 358, Issue 6364
  • DOI: 10.1126/science.aam7093

Surface Termination, Morphology, and Bright Photoluminescence of Cesium Lead Halide Perovskite Nanocrystals
journal, November 2016


High Defect Tolerance in Lead Halide Perovskite CsPbBr 3
journal, January 2017


On the Origin of Surface Traps in Colloidal II–VI Semiconductor Nanocrystals
journal, January 2017


The surface science of nanocrystals
journal, January 2016

  • Boles, Michael A.; Ling, Daishun; Hyeon, Taeghwan
  • Nature Materials, Vol. 15, Issue 2
  • DOI: 10.1038/nmat4526

Surface Traps in Colloidal Quantum Dots: A Combined Experimental and Theoretical Perspective
journal, October 2017


Light-Induced Charged and Trap States in Colloidal Nanocrystals Detected by Variable Pulse Rate Photoluminescence Spectroscopy
journal, December 2012

  • Saba, Michele; Aresti, Mauro; Quochi, Francesco
  • ACS Nano, Vol. 7, Issue 1
  • DOI: 10.1021/nn305031k

Delayed Exciton Emission and Its Relation to Blinking in CdSe Quantum Dots
journal, October 2015


Electronic structure and photoexcited-carrier dynamics in nanometer-size CdSe clusters
journal, September 1990


Dynamic Trap Formation and Elimination in Colloidal Quantum Dots
journal, March 2013

  • Voznyy, O.; Thon, S. M.; Ip, A. H.
  • The Journal of Physical Chemistry Letters, Vol. 4, Issue 6
  • DOI: 10.1021/jz400125r

Density of Trap States and Auger-mediated Electron Trapping in CdTe Quantum-Dot Solids
journal, April 2015


Identifying and Eliminating Emissive Sub-bandgap States in Thin Films of PbS Nanocrystals
journal, July 2015

  • Hwang, Gyu Weon; Kim, Donghun; Cordero, Jose M.
  • Advanced Materials, Vol. 27, Issue 30
  • DOI: 10.1002/adma.201501156

Hole Surface Trapping in CdSe Nanocrystals: Dynamics, Rate Fluctuations, and Implications for Blinking
journal, January 2012

  • Gómez-Campos, Francisco M.; Califano, Marco
  • Nano Letters, Vol. 12, Issue 9
  • DOI: 10.1021/nl3016279

Core/Shell Semiconductor Nanocrystals
journal, January 2009


Photogenerated Excitons in Plain Core CdSe Nanocrystals with Unity Radiative Decay in Single Channel: The Effects of Surface and Ligands
journal, March 2015

  • Gao, Yuan; Peng, Xiaogang
  • Journal of the American Chemical Society, Vol. 137, Issue 12
  • DOI: 10.1021/jacs.5b01314

To Battle Surface Traps on CdSe/CdS Core/Shell Nanocrystals: Shell Isolation versus Surface Treatment
journal, June 2016

  • Pu, Chaodan; Peng, Xiaogang
  • Journal of the American Chemical Society, Vol. 138, Issue 26
  • DOI: 10.1021/jacs.6b02909

Hybrid passivated colloidal quantum dot solids
journal, July 2012

  • Ip, Alexander H.; Thon, Susanna M.; Hoogland, Sjoerd
  • Nature Nanotechnology, Vol. 7, Issue 9
  • DOI: 10.1038/nnano.2012.127

Surface Chemistry of Semiconducting Quantum Dots: Theoretical Perspectives
journal, September 2016

  • Kilina, Svetlana V.; Tamukong, Patrick K.; Kilin, Dmitri S.
  • Accounts of Chemical Research, Vol. 49, Issue 10
  • DOI: 10.1021/acs.accounts.6b00196

Efficiency of Hole Transfer from Photoexcited Quantum Dots to Covalently Linked Molecular Species
journal, January 2015

  • Ding, Tina X.; Olshansky, Jacob H.; Leone, Stephen R.
  • Journal of the American Chemical Society, Vol. 137, Issue 5
  • DOI: 10.1021/ja512278a

A new approach to the formal classification of covalent compounds of the elements
journal, September 1995


Colloidal Quantum Dots: Think Outside the (Particle-in-a-)Box
journal, December 2011

  • Knowles, Kathryn E.; Frederick, Matthew T.; Tice, Daniel B.
  • The Journal of Physical Chemistry Letters, Vol. 3, Issue 1
  • DOI: 10.1021/jz2013775

Chemical, Structural, and Quantitative Analysis of the Ligand Shells of Colloidal Quantum Dots
journal, September 2012

  • Morris-Cohen, Adam J.; Malicki, Michał; Peterson, Mark D.
  • Chemistry of Materials, Vol. 25, Issue 8
  • DOI: 10.1021/cm302108j

Highly Dynamic Ligand Binding and Light Absorption Coefficient of Cesium Lead Bromide Perovskite Nanocrystals
journal, January 2016


Origin of the Substitution Mechanism for the Binding of Organic Ligands on the Surface of CsPbBr 3 Perovskite Nanocubes
journal, September 2017

  • Ravi, Vikash Kumar; Santra, Pralay K.; Joshi, Niharika
  • The Journal of Physical Chemistry Letters, Vol. 8, Issue 20
  • DOI: 10.1021/acs.jpclett.7b02192

A Mechanistic Study of Phase Transformation in Perovskite Nanocrystals Driven by Ligand Passivation
journal, December 2017


Highly Stable Cesium Lead Halide Perovskite Nanocrystals through in Situ Lead Halide Inorganic Passivation
journal, August 2017


Colloidal Nanocrystals as a Platform for Rapid Screening of Charge Trap Passivating Molecules for Metal Halide Perovskite Thin Films
journal, June 2018


Air-Stable Surface-Passivated Perovskite Quantum Dots for Ultra-Robust, Single- and Two-Photon-Induced Amplified Spontaneous Emission
journal, December 2015

  • Pan, Jun; Sarmah, Smritakshi P.; Murali, Banavoth
  • The Journal of Physical Chemistry Letters, Vol. 6, Issue 24
  • DOI: 10.1021/acs.jpclett.5b02460

Enhancing Luminescence and Photostability of CsPbBr 3 Nanocrystals via Surface Passivation with Silver Complex
journal, May 2018

  • Li, Hongbo; Qian, Yang; Xing, Xing
  • The Journal of Physical Chemistry C, Vol. 122, Issue 24
  • DOI: 10.1021/acs.jpcc.8b04569

Facile Method to Reduce Surface Defects and Trap Densities in Perovskite Photovoltaics
journal, June 2017

  • Han, Guifang; Koh, Teck Ming; Lim, Swee Sien
  • ACS Applied Materials & Interfaces, Vol. 9, Issue 25
  • DOI: 10.1021/acsami.7b05133

The Luminescence of CH 3 NH 3 PbBr 3 Perovskite Nanoparticles Crests the Summit and Their Photostability under Wet Conditions is Enhanced
journal, August 2016

  • Gonzalez-Carrero, Soranyel; Francés-Soriano, Laura; González-Béjar, María
  • Small, Vol. 12, Issue 38
  • DOI: 10.1002/smll.201600209

Boosting Tunable Blue Luminescence of Halide Perovskite Nanoplatelets through Postsynthetic Surface Trap Repair
journal, July 2018


Highly Luminescent and Stable Perovskite Nanocrystals with Octylphosphonic Acid as a Ligand for Efficient Light-Emitting Diodes
journal, January 2018

  • Tan, Yeshu; Zou, Yatao; Wu, Linzhong
  • ACS Applied Materials & Interfaces, Vol. 10, Issue 4
  • DOI: 10.1021/acsami.7b17166

Enhanced Photoluminescence and Solar Cell Performance via Lewis Base Passivation of Organic–Inorganic Lead Halide Perovskites
journal, September 2014

  • Noel, Nakita K.; Abate, Antonio; Stranks, Samuel D.
  • ACS Nano, Vol. 8, Issue 10
  • DOI: 10.1021/nn5036476

Highly Efficient Perovskite-Quantum-Dot Light-Emitting Diodes by Surface Engineering
journal, August 2016


Bidentate Ligand-Passivated CsPbI 3 Perovskite Nanocrystals for Stable Near-Unity Photoluminescence Quantum Yield and Efficient Red Light-Emitting Diodes
journal, December 2017

  • Pan, Jun; Shang, Yuequn; Yin, Jun
  • Journal of the American Chemical Society, Vol. 140, Issue 2
  • DOI: 10.1021/jacs.7b10647

Near-Unity Photoluminescence Quantum Yield in CsPbBr 3 Nanocrystal Solid-State Films via Postsynthesis Treatment with Lead Bromide
journal, September 2017


Difluoropalmitic acids as potential inhibitors of the biosynthesis of the sex pheromone of the Egyptian armyworm Spodoptera littoralis—IV
journal, March 1996


Quantum Dot Luminescent Concentrator Cavity Exhibiting 30-fold Concentration
journal, August 2015


Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996


From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999


Hybrid functionals based on a screened Coulomb potential
journal, May 2003

  • Heyd, Jochen; Scuseria, Gustavo E.; Ernzerhof, Matthias
  • The Journal of Chemical Physics, Vol. 118, Issue 18
  • DOI: 10.1063/1.1564060

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Ligand Exchange and the Stoichiometry of Metal Chalcogenide Nanocrystals: Spectroscopic Observation of Facile Metal-Carboxylate Displacement and Binding
journal, November 2013

  • Anderson, Nicholas C.; Hendricks, Mark P.; Choi, Joshua J.
  • Journal of the American Chemical Society, Vol. 135, Issue 49, p. 18536-18548
  • DOI: 10.1021/ja4086758

Effect of Surface Stoichiometry on Blinking and Hole Trapping Dynamics in CdSe Nanocrystals
journal, November 2015

  • Busby, Erik; Anderson, Nicholas C.; Owen, Jonathan S.
  • The Journal of Physical Chemistry C, Vol. 119, Issue 49
  • DOI: 10.1021/acs.jpcc.5b08243

Electronic structure and stability of the C H 3 N H 3 PbB r 3 (001) surface
journal, November 2016


Real-Space Imaging of the Atomic Structure of Organic–Inorganic Perovskite
journal, December 2015

  • Ohmann, Robin; Ono, Luis K.; Kim, Hui-Seon
  • Journal of the American Chemical Society, Vol. 137, Issue 51
  • DOI: 10.1021/jacs.5b08227

Materials Processing Routes to Trap-Free Halide Perovskites
journal, October 2014

  • Buin, Andrei; Pietsch, Patrick; Xu, Jixian
  • Nano Letters, Vol. 14, Issue 11
  • DOI: 10.1021/nl502612m

Charge Carrier Trapping at Surface Defects of Perovskite Solar Cell Absorbers: A First-Principles Study
journal, January 2017


Low-Temperature Electron Beam-Induced Transformations of Cesium Lead Halide Perovskite Nanocrystals
journal, September 2017


Crystal-Bound vs Surface-Bound Thiols on Nanocrystals
journal, September 2014

  • Turo, Michael J.; Macdonald, Janet E.
  • ACS Nano, Vol. 8, Issue 10, p. 10205-10213
  • DOI: 10.1021/nn5032164

Dual-mode crystal-bound and X-type passivation of quantum dots
journal, January 2016

  • Turo, Michael J.; Shen, Xiao; Brandon, Nazharie K.
  • Chemical Communications, Vol. 52, Issue 82
  • DOI: 10.1039/C6CC05951A

High-Temperature Photoluminescence of CsPbX 3 (X = Cl, Br, I) Nanocrystals
journal, March 2017

  • Diroll, Benjamin T.; Nedelcu, Georgian; Kovalenko, Maksym V.
  • Advanced Functional Materials, Vol. 27, Issue 21
  • DOI: 10.1002/adfm.201606750

Excitonic emissions and above-band-gap luminescence in the single-crystal perovskite semiconductors CsPbB r 3 and CsPbC l 3
journal, December 2015


Shallow halogen vacancies in halide optoelectronic materials
journal, November 2014


Ionic conduction of the perovskite-type halides
journal, November 1983


Ionic transport in hybrid lead iodide perovskite solar cells
journal, June 2015

  • Eames, Christopher; Frost, Jarvist M.; Barnes, Piers R. F.
  • Nature Communications, Vol. 6, Issue 1
  • DOI: 10.1038/ncomms8497

Surface Chemistry of Colloidal PbSe Nanocrystals
journal, November 2008

  • Moreels, Iwan; Fritzinger, Bernd; Martins, José C.
  • Journal of the American Chemical Society, Vol. 130, Issue 45
  • DOI: 10.1021/ja803994m

Impact of Stoichiometry on the Electronic Structure of PbS Quantum Dots
journal, May 2013


Aqueous Synthesis of Thiol-Capped CdTe Nanocrystals:  State-of-the-Art
journal, October 2007

  • Rogach, Andrey L.; Franzl, Thomas; Klar, Thomas A.
  • The Journal of Physical Chemistry C, Vol. 111, Issue 40
  • DOI: 10.1021/jp072463y

Ion Pairing and Host−Guest Complexation in Low Dielectric Constant Solvents
journal, June 2003

  • Jones, Jason W.; Gibson, Harry W.
  • Journal of the American Chemical Society, Vol. 125, Issue 23
  • DOI: 10.1021/ja034442x

An introduction to NMR-based approaches for measuring protein dynamics
journal, August 2011

  • Kleckner, Ian R.; Foster, Mark P.
  • Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics, Vol. 1814, Issue 8
  • DOI: 10.1016/j.bbapap.2010.10.012

Benchmark Assessment of Density Functional Methods on Group II–VI MX (M = Zn, Cd; X = S, Se, Te) Quantum Dots
journal, November 2013

  • Azpiroz, Jon M.; Ugalde, Jesus M.; Infante, Ivan
  • Journal of Chemical Theory and Computation, Vol. 10, Issue 1
  • DOI: 10.1021/ct400513s

Hole Transfer from Photoexcited Quantum Dots: The Relationship between Driving Force and Rate
journal, December 2015

  • Olshansky, Jacob H.; Ding, Tina X.; Lee, Youjin V.
  • Journal of the American Chemical Society, Vol. 137, Issue 49
  • DOI: 10.1021/jacs.5b10856

Picosecond Quantum Cutting Generates Photoluminescence Quantum Yields Over 100% in Ytterbium-Doped CsPbCl 3 Nanocrystals
journal, May 2018


Terahertz Conductivity within Colloidal CsPbBr 3 Perovskite Nanocrystals: Remarkably High Carrier Mobilities and Large Diffusion Lengths
journal, July 2016


Ultrafast Interfacial Electron and Hole Transfer from CsPbBr 3 Perovskite Quantum Dots
journal, September 2015

  • Wu, Kaifeng; Liang, Guijie; Shang, Qiongyi
  • Journal of the American Chemical Society, Vol. 137, Issue 40
  • DOI: 10.1021/jacs.5b08520

Highly Luminescent Phase-Stable CsPbI 3 Perovskite Quantum Dots Achieving Near 100% Absolute Photoluminescence Quantum Yield
journal, September 2017


Halide Composition Controls Electron–Hole Recombination in Cesium–Lead Halide Perovskite Quantum Dots: A Time Domain Ab Initio Study
journal, March 2018


The coordination chemistry of nanocrystal surfaces
journal, February 2015


Colloidal nanocrystal synthesis and the organic–inorganic interface
journal, September 2005

  • Yin, Yadong; Alivisatos, A. Paul
  • Nature, Vol. 437, Issue 7059, p. 664-670
  • DOI: 10.1038/nature04165

A Solution NMR Toolbox for Characterizing the Surface Chemistry of Colloidal Nanocrystals
journal, February 2013

  • Hens, Zeger; Martins, José C.
  • Chemistry of Materials, Vol. 25, Issue 8
  • DOI: 10.1021/cm303361s

The role of resonance and inductive effects in the acidity of carboxylic acids
journal, November 1988

  • Siggel, Michele R. F.; Streitwieser, Andrew.; Thomas, T. Darrah.
  • Journal of the American Chemical Society, Vol. 110, Issue 24
  • DOI: 10.1021/ja00232a011

In Situ Observation of Rapid Ligand Exchange in Colloidal Nanocrystal Suspensions Using Transfer NOE Nuclear Magnetic Resonance Spectroscopy
journal, March 2009

  • Fritzinger, Bernd; Moreels, Iwan; Lommens, Petra
  • Journal of the American Chemical Society, Vol. 131, Issue 8
  • DOI: 10.1021/ja809436y

Theory and applications of the transferred nuclear overhauser effect to the study of the conformations of small ligands bound to proteins
journal, July 1982


Air-Stable PbSe Nanocrystals Passivated by Phosphonic Acids
journal, January 2016

  • Woo, Ju Young; Lee, Sooho; Lee, Seokwon
  • Journal of the American Chemical Society, Vol. 138, Issue 3
  • DOI: 10.1021/jacs.5b10273

Single-Particle Photoluminescence Spectra, Blinking, and Delayed Luminescence of Colloidal CuInS 2 Nanocrystals
journal, July 2016

  • Whitham, Patrick J.; Marchioro, Arianna; Knowles, Kathryn E.
  • The Journal of Physical Chemistry C, Vol. 120, Issue 30
  • DOI: 10.1021/acs.jpcc.6b06425

Controlled Alloying of the Core–Shell Interface in CdSe/CdS Quantum Dots for Suppression of Auger Recombination
journal, April 2013

  • Bae, Wan Ki; Padilha, Lazaro A.; Park, Young-Shin
  • ACS Nano, Vol. 7, Issue 4
  • DOI: 10.1021/nn4002825

Precise Tuning of Surface Quenching for Luminescence Enhancement in Core–Shell Lanthanide-Doped Nanocrystals
journal, October 2016


Benzoyl Halides as Alternative Precursors for the Colloidal Synthesis of Lead-Based Halide Perovskite Nanocrystals
journal, January 2018

  • Imran, Muhammad; Caligiuri, Vincenzo; Wang, Mengjiao
  • Journal of the American Chemical Society, Vol. 140, Issue 7
  • DOI: 10.1021/jacs.7b13477

Works referencing / citing this record:

Improved phase stability of γ-CsPbI 3 perovskite nanocrystals using the interface effect using iodine modified graphene oxide
journal, January 2020

  • Zhang, Qi; Zhou, Yangying; Wei, Yaxuan
  • Journal of Materials Chemistry C, Vol. 8, Issue 7
  • DOI: 10.1039/c9tc06465f

Near‐Unity Photoluminescence Quantum Efficiency for All CsPbX 3 (X=Cl, Br, and I) Perovskite Nanocrystals: A Generic Synthesis Approach
journal, March 2019

  • Dutta, Anirban; Behera, Rakesh Kumar; Pal, Poulami
  • Angewandte Chemie, Vol. 131, Issue 17
  • DOI: 10.1002/ange.201900374

Ultrafast carrier dynamics of metal halide perovskite nanocrystals and perovskite-composites
journal, January 2019

  • Mondal, Navendu; De, Apurba; Das, Somnath
  • Nanoscale, Vol. 11, Issue 20
  • DOI: 10.1039/c9nr01745c

Ultra-stable CsPbBr 3 nanocrystals with near-unity photoluminescence quantum yield via postsynthetic surface engineering
journal, January 2019

  • Zu, Yanqing; Dai, Jinfei; Li, Lu
  • Journal of Materials Chemistry A, Vol. 7, Issue 45
  • DOI: 10.1039/c9ta08421e

Nucleation-controlled growth of superior long oriented CsPbBr 3 microrod single crystals for high detectivity photodetectors
journal, January 2019

  • Cheng, Xiaohua; Yuan, Ye; Jing, Lin
  • Journal of Materials Chemistry C, Vol. 7, Issue 45
  • DOI: 10.1039/c9tc05333f

Correlation of near-unity quantum yields with photogenerated excitons in X-type ligand passivated CsPbBr 3 perovskite quantum dots
journal, January 2019

  • Park, Sunjoong; Cho, Hyunjin; Choi, Wonseok
  • Nanoscale Advances, Vol. 1, Issue 8
  • DOI: 10.1039/c9na00292h

Self-assembly of a robust hydrogen-bonded octylphosphonate network on cesium lead bromide perovskite nanocrystals for light-emitting diodes
journal, January 2019

  • Brown, Alasdair A. M.; Hooper, Thomas J. N.; Veldhuis, Sjoerd A.
  • Nanoscale, Vol. 11, Issue 25
  • DOI: 10.1039/c9nr02566a

Near‐Unity Photoluminescence Quantum Efficiency for All CsPbX 3 (X=Cl, Br, and I) Perovskite Nanocrystals: A Generic Synthesis Approach
journal, March 2019

  • Dutta, Anirban; Behera, Rakesh Kumar; Pal, Poulami
  • Angewandte Chemie International Edition, Vol. 58, Issue 17
  • DOI: 10.1002/anie.201900374

Photophysics of lead-free tin halide perovskite films and solar cells
journal, August 2019

  • Handa, Taketo; Wakamiya, Atsushi; Kanemitsu, Yoshihiko
  • APL Materials, Vol. 7, Issue 8
  • DOI: 10.1063/1.5109704

Reducing Detrimental Defects for High‐Performance Metal Halide Perovskite Solar Cells
journal, January 2020

  • Ono, Luis K.; Liu, Shengzhong (Frank); Qi, Yabing
  • Angewandte Chemie International Edition, Vol. 59, Issue 17
  • DOI: 10.1002/anie.201905521

Halogen Vacancies Enable Ligand‐Assisted Self‐Assembly of Perovskite Quantum Dots into Nanowires
journal, November 2019

  • Pan, Jun; Li, Xiyan; Gong, Xiwen
  • Angewandte Chemie International Edition, Vol. 58, Issue 45
  • DOI: 10.1002/anie.201909109

Near-unity photoluminescence quantum yield in inorganic perovskite nanocrystals by metal-ion doping
journal, January 2020

  • Ahmed, Ghada H.; Yin, Jun; Bakr, Osman M.
  • The Journal of Chemical Physics, Vol. 152, Issue 2
  • DOI: 10.1063/1.5131807

In situ growth of α-CsPbI 3 perovskite nanocrystals on the surface of reduced graphene oxide with enhanced stability and carrier transport quality
journal, January 2019

  • Zhang, Qi; Nan, Hui; Zhou, Yangying
  • Journal of Materials Chemistry C, Vol. 7, Issue 22
  • DOI: 10.1039/c9tc01012b

Picosecond electron trapping limits the emissivity of CsPbCl 3 perovskite nanocrystals
journal, November 2019

  • Lai, Runchen; Wu, Kaifeng
  • The Journal of Chemical Physics, Vol. 151, Issue 19
  • DOI: 10.1063/1.5127887

Resurfacing halide perovskite nanocrystals
journal, May 2019


Comparison of superstar CsPbBr 3 and classical LaPO 4 :Tb 3+ ,Ce 3+ green-emitting nanophosphors
journal, February 2019


Influence of shape on the carrier relaxation dynamics of CsPbBr 3 perovskite nanocrystals
journal, January 2019

  • Ghosh, Goutam; Jana, Bikash; Sain, Sumanta
  • Physical Chemistry Chemical Physics, Vol. 21, Issue 35
  • DOI: 10.1039/c9cp03386f

Facile Room‐Temperature Anion Exchange Reactions of Inorganic Perovskite Quantum Dots Enabled by a Modular Microfluidic Platform
journal, March 2019

  • Abdel‐Latif, Kameel; Epps, Robert W.; Kerr, Corwin B.
  • Advanced Functional Materials, Vol. 29, Issue 23
  • DOI: 10.1002/adfm.201900712

Rationalizing the Molecular Design of Hole‐Selective Contacts to Improve Charge Extraction in Perovskite Solar Cells
journal, June 2019

  • Wang, Qiong; Mosconi, Edoardo; Wolff, Christian
  • Advanced Energy Materials, Vol. 9, Issue 28
  • DOI: 10.1002/aenm.201900990

Thiocyanate-Treated Perovskite-Nanocrystal-Based Light-Emitting Diodes with Insight in Efficiency Roll-Off
journal, January 2020

  • Chen, Fang; Boopathi, Karunakara Moorthy; Imran, Muhammad
  • Materials, Vol. 13, Issue 2
  • DOI: 10.3390/ma13020367

CsPbBr 3 Quantum Dots 2.0: Benzenesulfonic Acid Equivalent Ligand Awakens Complete Purification
journal, June 2019


Verringerung schädlicher Defekte für leistungsstarke Metallhalogenid‐Perowskit‐Solarzellen
journal, April 2020

  • Ono, Luis K.; Liu, Shengzhong (Frank); Qi, Yabing
  • Angewandte Chemie, Vol. 132, Issue 17
  • DOI: 10.1002/ange.201905521

Trion dynamics in lead halide perovskite nanocrystals
journal, November 2019

  • Kanemitsu, Yoshihiko
  • The Journal of Chemical Physics, Vol. 151, Issue 17
  • DOI: 10.1063/1.5125628

Halogen Vacancies Enable Ligand‐Assisted Self‐Assembly of Perovskite Quantum Dots into Nanowires
journal, September 2019


Insights into the role of the lead/surfactant ratio in the formation and passivation of cesium lead bromide perovskite nanocrystals
journal, January 2020

  • Grisorio, Roberto; Fanizza, Elisabetta; Allegretta, Ignazio
  • Nanoscale, Vol. 12, Issue 2
  • DOI: 10.1039/c9nr08079a