skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

This content will become publicly available on January 16, 2021

Title: Understanding size dependence of phase stability and band gap in CsPbI 3 perovskite nanocrystals

ORCiD logo [1]; ORCiD logo [1]
  1. Molecular Foundry, Lawrence Berkeley National Lab, Berkeley, California 94720, USA
Publication Date:
Sponsoring Org.:
OSTI Identifier:
Grant/Contract Number:  
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Name: Journal of Chemical Physics Journal Volume: 152 Journal Issue: 3; Journal ID: ISSN 0021-9606
American Institute of Physics
Country of Publication:
United States

Citation Formats

Yang, Ruo Xi, and Tan, Liang Z. Understanding size dependence of phase stability and band gap in CsPbI 3 perovskite nanocrystals. United States: N. p., 2020. Web. doi:10.1063/1.5128016.
Yang, Ruo Xi, & Tan, Liang Z. Understanding size dependence of phase stability and band gap in CsPbI 3 perovskite nanocrystals. United States. doi:10.1063/1.5128016.
Yang, Ruo Xi, and Tan, Liang Z. Tue . "Understanding size dependence of phase stability and band gap in CsPbI 3 perovskite nanocrystals". United States. doi:10.1063/1.5128016.
title = {Understanding size dependence of phase stability and band gap in CsPbI 3 perovskite nanocrystals},
author = {Yang, Ruo Xi and Tan, Liang Z.},
abstractNote = {},
doi = {10.1063/1.5128016},
journal = {Journal of Chemical Physics},
number = 3,
volume = 152,
place = {United States},
year = {2020},
month = {1}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on January 16, 2021
Publisher's Version of Record

Save / Share:

Works referenced in this record:

Exciton Binding Energy and the Nature of Emissive States in Organometal Halide Perovskites
journal, July 2015

  • Zheng, Kaibo; Zhu, Qiushi; Abdellah, Mohamed
  • The Journal of Physical Chemistry Letters, Vol. 6, Issue 15
  • DOI: 10.1021/acs.jpclett.5b01252

Light-Induced Degradation of CH 3 NH 3 PbI 3 Hybrid Perovskite Thin Film
journal, February 2017

  • Li, Youzhen; Xu, Xuemei; Wang, Congcong
  • The Journal of Physical Chemistry C, Vol. 121, Issue 7
  • DOI: 10.1021/acs.jpcc.6b11853

Size driven phase transition in nanocrystalline BaTiO3
journal, September 1994

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

Toward Eco-friendly and Stable Perovskite Materials for Photovoltaics
journal, July 2018

Organometal Halide Perovskites as Visible-Light Sensitizers for Photovoltaic Cells
journal, May 2009

  • Kojima, Akihiro; Teshima, Kenjiro; Shirai, Yasuo
  • Journal of the American Chemical Society, Vol. 131, Issue 17, p. 6050-6051
  • DOI: 10.1021/ja809598r

Strain‐Mediated Phase Stabilization: A New Strategy for Ultrastable α‐CsPbI 3 Perovskite by Nanoconfined Growth
journal, April 2019

Direct measurement of the exciton binding energy and effective masses for charge carriers in organic–inorganic tri-halide perovskites
journal, June 2015

  • Miyata, Atsuhiko; Mitioglu, Anatolie; Plochocka, Paulina
  • Nature Physics, Vol. 11, Issue 7
  • DOI: 10.1038/nphys3357

High-performance photovoltaic perovskite layers fabricated through intramolecular exchange
journal, May 2015

Bright triplet excitons in caesium lead halide perovskites
journal, January 2018

  • Becker, Michael A.; Vaxenburg, Roman; Nedelcu, Georgian
  • Nature, Vol. 553, Issue 7687
  • DOI: 10.1038/nature25147

Functionality-Directed Screening of Pb-Free Hybrid Organic–Inorganic Perovskites with Desired Intrinsic Photovoltaic Functionalities
journal, January 2017

Direct Observation of Dynamic Symmetry Breaking above Room Temperature in Methylammonium Lead Iodide Perovskite
journal, October 2016

Cubic or Orthorhombic? Revealing the Crystal Structure of Metastable Black-Phase CsPbI 3 by Theory and Experiment
journal, June 2018

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

Entropy-driven structural transition and kinetic trapping in formamidinium lead iodide perovskite
journal, October 2016

  • Chen, Tianran; Foley, Benjamin J.; Park, Changwon
  • Science Advances, Vol. 2, Issue 10
  • DOI: 10.1126/sciadv.1601650

Light-activated photocurrent degradation and self-healing in perovskite solar cells
journal, May 2016

  • Nie, Wanyi; Blancon, Jean-Christophe; Neukirch, Amanda J.
  • Nature Communications, Vol. 7, Issue 1
  • DOI: 10.1038/ncomms11574

Degradation of Methylammonium Lead Iodide Perovskite Structures through Light and Electron Beam Driven Ion Migration
journal, January 2016

  • Yuan, Haifeng; Debroye, Elke; Janssen, Kris
  • The Journal of Physical Chemistry Letters, Vol. 7, Issue 3
  • DOI: 10.1021/acs.jpclett.5b02828

Thermal unequilibrium of strained black CsPbI 3 thin films
journal, July 2019

Dynamic disorder in methylammoniumtrihalogenoplumbates (II) observed by millimeter‐wave spectroscopy
journal, December 1987

  • Poglitsch, A.; Weber, D.
  • The Journal of Chemical Physics, Vol. 87, Issue 11, p. 6373-6378
  • DOI: 10.1063/1.453467

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996

Spontaneous Octahedral Tilting in the Cubic Inorganic Cesium Halide Perovskites CsSnX 3 and CsPbX 3 (X = F, Cl, Br, I)
journal, September 2017

  • Yang, Ruo Xi; Skelton, Jonathan M.; da Silva, E. Lora
  • The Journal of Physical Chemistry Letters, Vol. 8, Issue 19
  • DOI: 10.1021/acs.jpclett.7b02423

Complete Suppression of Detrimental Polymorph Transitions in All-Inorganic Perovskites via Nanoconfinement
journal, March 2019

  • Kong, Xiaoqing; Shayan, Kamran; Hua, Sophia
  • ACS Applied Energy Materials, Vol. 2, Issue 4
  • DOI: 10.1021/acsaem.9b00322

Origin of the stability of two-dimensional perovskites: a first-principles study
journal, January 2018

  • Yang, Yi; Gao, Fei; Gao, Shiwu
  • Journal of Materials Chemistry A, Vol. 6, Issue 30
  • DOI: 10.1039/c8ta01496e

Quantum-dot-in-perovskite solids
journal, July 2015

  • Ning, Zhijun; Gong, Xiwen; Comin, Riccardo
  • Nature, Vol. 523, Issue 7560
  • DOI: 10.1038/nature14563

Anharmonicity and Disorder in the Black Phases of Cesium Lead Iodide Used for Stable Inorganic Perovskite Solar Cells
journal, March 2018

High Chloride Doping Levels Stabilize the Perovskite Phase of Cesium Lead Iodide
journal, May 2016

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

Temperature-Dependent Electroabsorption and Electrophotoluminescence and Exciton Binding Energy in MAPbBr 3 Perovskite Quantum Dots
journal, July 2019

  • Rana, Shailesh; Awasthi, Kamlesh; Bhosale, Sumit S.
  • The Journal of Physical Chemistry C, Vol. 123, Issue 32
  • DOI: 10.1021/acs.jpcc.9b04567

Efficient Hybrid Solar Cells Based on Meso-Superstructured Organometal Halide Perovskites
journal, October 2012

Anisotropy analysis of the surface energy of diamond cubic crystals
journal, January 2003

  • Zhang, Jian-Min; Ma, Fei; Xu, Ke-Wei
  • Surface and Interface Analysis, Vol. 35, Issue 10
  • DOI: 10.1002/sia.1605

Size-Dependent Phase Stability of Silver Nanocrystals
journal, September 2008

  • Yang, C. C.; Li, S.
  • The Journal of Physical Chemistry C, Vol. 112, Issue 42
  • DOI: 10.1021/jp806225p

Understanding Quantum Confinement of Charge Carriers in Layered 2D Hybrid Perovskites
journal, September 2014

  • Even, Jacky; Pedesseau, Laurent; Katan, Claudine
  • ChemPhysChem, Vol. 15, Issue 17
  • DOI: 10.1002/cphc.201402428

Efficient and Stable CsPbI 3 Solar Cells via Regulating Lattice Distortion with Surface Organic Terminal Groups
journal, April 2019

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

Phase-Stable CsPbI 3 Nanocrystals: The Reaction Temperature Matters
journal, June 2018

  • Dutta, Anirban; Dutta, Sumit K.; Das Adhikari, Samrat
  • Angewandte Chemie International Edition, Vol. 57, Issue 29
  • DOI: 10.1002/anie.201803701