4.3 Article

DFT Simulations as Valuable Tool to Support NMR Characterization of Halide Perovskites: the Case of Pure and Mixed Halide Perovskites

Related references

Note: Only part of the references are listed.
Article Chemistry, Physical

Layer-by-Layer Structural Identification of 2D Ruddlesden-Popper Hybrid Lead Iodide Perovskites by Solid-State NMR Spectroscopy

Jeongjae Lee et al.

Summary: In this study, H-1 and Pb-207 solid-state nuclear magnetic resonance (NMR) spectroscopy was successfully used to probe the local structural features of 2D halide perovskites, providing important insights for a better understanding of the properties of multidimensional halide perovskites.

CHEMISTRY OF MATERIALS (2021)

Article Chemistry, Multidisciplinary

Guanine-Stabilized Formamidinium Lead Iodide Perovskites

Li Hong et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2020)

Article Chemistry, Physical

Atomistic Origins of the Limited Phase Stability of Cs+-Rich FAxCs(1-x)PbI3 Mixtures

Ariadni Boziki et al.

CHEMISTRY OF MATERIALS (2020)

Article Chemistry, Multidisciplinary

Supramolecular Modulation of Hybrid Perovskite Solar Cells via Bifunctional Halogen Bonding Revealed by Two-Dimensional 19F Solid-State NMR Spectroscopy

Marco A. Ruiz-Preciado et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)

Article Chemistry, Multidisciplinary

Surface Termination of CsPbBr3 Perovskite Quantum Dots Determined by Solid-State NMR Spectroscopy

Yunhua Chen et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)

Article Chemistry, Multidisciplinary

Local Structure and Dynamics in Methylammonium, Formamidinium, and Cesium Tin(II) Mixed-Halide Perovskites from 119Sn Solid-State NMR

Dominik J. Kubicki et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)

Article Chemistry, Multidisciplinary

Bulk and Nanocrystalline Cesium Lead-Halide Perovskites as Seen by Halide Magnetic Resonance

Laura Piveteau et al.

ACS CENTRAL SCIENCE (2020)

Review Chemistry, Multidisciplinary

Solid-State NMR and NQR Spectroscopy of Lead-Halide Perovskite Materials

Laura Piveteau et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)

Review Chemistry, Multidisciplinary

Halide Perovskites: Is It All about the Interfaces?

Philip Schulz et al.

CHEMICAL REVIEWS (2019)

Review Chemistry, Multidisciplinary

Halide Perovskite Photovoltaics: Background, Status, and Future Prospects

Ajay Kumar Jena et al.

CHEMICAL REVIEWS (2019)

Editorial Material Chemistry, Multidisciplinary

Introduction: Perovskites

David B. Mitzi

CHEMICAL REVIEWS (2019)

Article Chemistry, Multidisciplinary

(4NPEA)2PbI4 (4NPEA=4-Nitrophenylethylammonium): Structural, NMR, and Optical Properties of a 3 x 3 Corrugated 2D Hybrid Perovskite

Marie-Helene Tremblay et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2019)

Article Nanoscience & Nanotechnology

Enhanced Stability and Band Gap Tuning of α-[HC(NH2)2]PbI3 Hybrid Perovskite by Large Cation Integration

Antonin Leblanc et al.

ACS APPLIED MATERIALS & INTERFACES (2019)

Review Chemistry, Physical

Solid-state NMR of hybrid halide perovskites

Wouter M. J. Franssen et al.

SOLID STATE NUCLEAR MAGNETIC RESONANCE (2019)

Article Multidisciplinary Sciences

Ba-induced phase segregation and band gap reduction in mixed-halide inorganic perovskite solar cells

Wanchun Xiang et al.

NATURE COMMUNICATIONS (2019)

Article Chemistry, Multidisciplinary

Mechanochemical synthesis of 0D and 3D cesium lead mixed halide perovskites

Abhoy Karmakar et al.

CHEMICAL COMMUNICATIONS (2019)

Article Chemistry, Inorganic & Nuclear

Experimental and Theoretical Insights into the Structure of Tellurium Chloride Glasses

Lila Bouessel Du Bourg et al.

INORGANIC CHEMISTRY (2018)

Article Chemistry, Multidisciplinary

Phase Segregation in Potassium-Doped Lead Halide Perovskites from 39K Solid-State NMR at 21.1 T

Dominik J. Kubicki et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2018)

Article Multidisciplinary Sciences

Maximizing and stabilizing luminescence from halide perovskites with potassium passivation

Mojtaba Abdi-Jalebi et al.

NATURE (2018)

Article Chemistry, Analytical

Recent Advances in Solid-State Nuclear Magnetic Resonance Spectroscopy

Sharon E. Ashbrook et al.

ANNUAL REVIEW OF ANALYTICAL CHEMISTRY, VOL 11 (2018)

Article Chemistry, Physical

Slow CH3NH3+ Diffusion in CH3NH3PbI3 under Light Measured by Solid-State NMR and Tracer Diffusion

Alessandro Senocrate et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2018)

Article Chemistry, Physical

Spin-orbit effects on the 125Te magnetic-shielding tensor: A cluster-based ZORA/DFT investigation

Fahri Alkan et al.

SOLID STATE NUCLEAR MAGNETIC RESONANCE (2018)

Article Chemistry, Multidisciplinary

Broadband Emission in Two-Dimensional Hybrid Perovskites: The Role of Structural Deformation

Daniele Cortecchia et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2017)

Article Chemistry, Physical

Multinuclear Magnetic Resonance Tracking of Hydro, Thermal, and Hydrothermal Decomposition of CH3NH3PbI3

Abdelrahman M. Askar et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2017)

Article Chemistry, Physical

Structural Instabilities Related to Highly Anharmonic Phonons in Halide Perovskites

Arthur Marronnier et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2017)

Article Chemistry, Multidisciplinary

Cation Dynamics in Mixed-Cation (MA)x(FA)1-xPbI3 Hybrid Perovskites from Solid-State NMR

Dominik J. Kubicki et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2017)

Article Chemistry, Multidisciplinary

Phase Segregation in Cs-, Rb- and K-Doped Mixed-Cation (MA)x(FA)1-xPbl3 Hybrid Perovskites from Solid-State NMR

Dominik J. Kubicki et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2017)

Article Chemistry, Multidisciplinary

Lead- and Iodide-Deficient (CH3NH3)PbI3 (d-MAPI): The Bridge between 2D and 3D Hybrid Perovskites

Antonin Leblanc et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2017)

Article Chemistry, Physical

Persistent Dopants and Phase Segregation in Organolead Mixed-Halide Perovskites

Bryan A. Rosales et al.

CHEMISTRY OF MATERIALS (2016)

Article Chemistry, Physical

Benchmark fragment-based 1H, 13C, 15N and 17O chemical shift predictions in molecular crystals

Joshua D. Hartman et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)

Article Chemistry, Physical

A close examination of the structure and dynamics of HC(NH2)2PbI3 by MD simulations and group theory

M. A. Carignano et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)

Article Multidisciplinary Sciences

Perovskite-perovskite tandem photovoltaics with optimized band gaps

Giles E. Eperon et al.

SCIENCE (2016)

Article Multidisciplinary Sciences

A mixed-cation lead mixed-halide perovskite absorber for tandem solar cells

David P. McMeekin et al.

SCIENCE (2016)

Article Chemistry, Physical

Phonon-Electron Scattering Limits Free Charge Mobility in Methylammonium Lead Iodide Perovskites

Melike Karakus et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2015)

Article Multidisciplinary Sciences

Compositional engineering of perovskite materials for high-performance solar cells

Nam Joong Jeon et al.

NATURE (2015)

Article Chemistry, Multidisciplinary

High Charge Carrier Mobilities and Lifetimes in Organolead Trihalide Perovskites

Christian Wehrenfennig et al.

ADVANCED MATERIALS (2014)

Article Chemistry, Physical

Preparation of Single-Phase Films of CH3NH3Pb(I1-x,Brx)3 with Sharp Optical Band Edges

Aditya Sadhanala et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2014)

Article Chemistry, Physical

Organometallic Halide Perovskites: Sharp Optical Absorption Edge and Its Relation to Photovoltaic Performance

Stefaan De Wolf et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2014)

Article Chemistry, Physical

A Combined NMR and DFT Study of Narrow Gap Semiconductors: The Case of PbTe

Robert E. Taylor et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2013)

Article Chemistry, Physical

The Absolute Shielding Constants of Heavy Nuclei: Resolving the Enigma of the 119Sn Absolute Shielding

Elena Malkin et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2013)

Article Chemistry, Physical

Importance of Spin-Orbit Coupling in Hybrid Organic/Inorganic Perovskites for Photovoltaic Applications

Jacky Even et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2013)

Article Chemistry, Multidisciplinary

Mesoscopic CH3NH3PbI3/TiO2 Heterojunction Solar Cells

Lioz Etgar et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2012)

Article Multidisciplinary Sciences

Efficient Hybrid Solar Cells Based on Meso-Superstructured Organometal Halide Perovskites

Michael M. Lee et al.

SCIENCE (2012)

Article Chemistry, Physical

Solid-State 17O NMR Spectroscopy of Hydrous Magnesium Silicates: Evidence for Proton Dynamics

John M. Griffin et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2009)

Article Chemistry, Physical

The relationship between 207Pb NMR chemical shift and solid-state structure in Pb(II) compounds

O. Dmitrenko et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2008)

Article Crystallography

First principles methods using CASTEP

SJ Clark et al.

ZEITSCHRIFT FUR KRISTALLOGRAPHIE (2005)

Article Materials Science, Multidisciplinary

Electronic structures of lead iodide based low-dimensional crystals

T Umebayashi et al.

PHYSICAL REVIEW B (2003)

Article Physics, Multidisciplinary

Structural study on cubic-tetragonal transition of CH3NH3PbI3

Y Kawamura et al.

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN (2002)

Article Materials Science, Multidisciplinary

All-electron magnetic response with pseudopotentials: NMR chemical shifts

CJ Pickard et al.

PHYSICAL REVIEW B (2001)

Article Biochemical Research Methods

SIMPSON: A general simulation program for solid-state NMR spectroscopy

M Bak et al.

JOURNAL OF MAGNETIC RESONANCE (2000)