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Polarizable Anionic Sublattices Can Screen Molecular Dipoles in Noncentrosymmetric Inorganic–Organic Hybrids

Journal Article · · ACS Applied Materials and Interfaces
 [1];  [1];  [1];  [1];  [2];  [2];  [1];  [1];  [1];  [2];  [3];  [1];  [4]
  1. Department of Chemistry, University of Southern California, Los Angeles, California 90089, United States
  2. Department of Chemistry, University of Houston, Houston, Texas 77204, United States
  3. Department of Chemistry and Thomas Young Centre, University College London, London WC1H 0AJ, United Kingdom
  4. Department of Chemistry, University of Southern California, Los Angeles, California 90089, United States; Mork Family Department of Chemical Engineering and Materials Science, University of Southern California, Los Angeles, California 90089, United States

Not provided.

Research Organization:
Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Sponsoring Organization:
USDOE
DOE Contract Number:
AC02-06CH11357
OSTI ID:
2423557
Journal Information:
ACS Applied Materials and Interfaces, Journal Name: ACS Applied Materials and Interfaces Journal Issue: 14 Vol. 15; ISSN 1944-8244
Publisher:
American Chemical Society (ACS)
Country of Publication:
United States
Language:
English

References (34)

Design, Structure, and Optical Properties of Organic−Inorganic Perovskites Containing an Oligothiophene Chromophore journal December 1999
GSAS-II : the genesis of a modern open-source all purpose crystallography software package journal March 2013
Perovskites: The Emergence of a New Era for Low-Cost, High-Efficiency Solar Cells journal October 2013
Role of Metal–Chloride Anions in Photoluminescence Regulations for Hybrid Metal Halides journal February 2021
Halide perovskite materials for solar cells: a theoretical review journal January 2015
TOPAS and TOPAS-Academic : an optimization program integrating computer algebra and crystallographic objects written in C++ journal February 2018
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium journal May 1994
Dielectric and Thermodynamic Signatures of Low-Temperature Glassy Dynamics in the Hybrid Perovskites CH 3 NH 3 PbI 3 and HC(NH 2 ) 2 PbI 3 journal January 2016
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set journal July 1996
The First 2D Homochiral Lead Iodide Perovskite Ferroelectrics: [ R ‐ and S ‐1‐(4‐Chlorophenyl)ethylammonium] 2 PbI 4 journal February 2019
Influence of One Specific Carbon–Carbon Bond on the Quality, Stability, and Photovoltaic Performance of Hybrid Organic–Inorganic Bismuth Iodide Materials journal February 2019
Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties journal July 2013
Projector augmented-wave method journal December 1994
Chirality control in white-light emitting 2D perovskites journal January 2020
Bulk characterization methods for non-centrosymmetric materials: second-harmonic generation, piezoelectricity, pyroelectricity, and ferroelectricity journal January 2006
(C4H10NO)PbX3 (X = Cl, Br): Design of Two Lead Halide Perovskite Crystals with Moderate Nonlinear Optical Properties journal October 2022
The expanding world of hybrid perovskites: materials properties and emerging applications journal March 2015
Influence of the exchange screening parameter on the performance of screened hybrid functionals journal December 2006
Organic–Inorganic Perovskites: Structural Versatility for Functional Materials Design journal March 2016
Metal halide perovskites for energy applications journal May 2016
Ab initiomolecular dynamics for liquid metals journal January 1993
Hybrid functionals based on a screened Coulomb potential journal May 2003
Vibronic Structure in Room Temperature Photoluminescence of the Halide Perovskite Cs 3 Bi 2 Br 9 journal September 2016
High Charge Carrier Mobilities and Lifetimes in Organolead Trihalide Perovskites journal December 2013
Universal Dynamics of Molecular Reorientation in Hybrid Lead Iodide Perovskites journal November 2017
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal October 1996
Dielectric and ferroic properties of metal halide perovskites journal January 2019
Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces journal April 2008
Lead halide inorganic–organic hybrids incorporating diammonium cations journal January 2012
Control of Crystal Symmetry Breaking with Halogen-Substituted Benzylammonium in Layered Hybrid Metal-Halide Perovskites journal February 2020
Hybrid benzidinium lead iodide perovskites with a 1D structure as photoinduced electron transfer photocatalysts journal January 2019
A profile refinement method for nuclear and magnetic structures journal June 1969
On the Theory of Dielectric Polarization journal September 1936
sumo: Command-line tools for plotting and analysis of periodic ab initio calculations journal August 2018

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