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David Lyndon Emsley

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Related publications (178)

Dynamic Nuclear Polarization Magic-Angle Spinning Nuclear Magnetic Resonance Combined with Molecular Dynamics Simulations Permits Detection of Order and Disorder in Viral Assemblies

Marc Anthony Caporini, David Lyndon Emsley

We report dynamic nuclear polarization (DNP)-enhanced magic-angle spinning (MAS) NMR spectroscopy in viral capsids from HIV-1 and bacteriophage AP205. Viruses regulate their life cycles and infectivity through modulation of their structures and dynamics. W ...

2019

Rapid Structure Determination of Molecular Solids Using Chemical Shifts Directed by Unambiguous Prior Constraints

Arthur César Pinon, David Lyndon Emsley, Albert Hofstetter, Federico Maria Paruzzo, Martins Balodis

NMR-based crystallography approaches involving the combination of crystal structure prediction methods, ab initio calculated chemical shifts and solid-state NMR experiments are powerful methods for crystal structure determination of microcrystalline powder ...

2019

Multifunctional Molecular Modulation for Efficient and Stable Hybrid Perovskite Solar Cells

Michael Graetzel, Dominik Józef Kubicki, David Lyndon Emsley, Jovana Milic

Hybrid organic-inorganic perovskites have become one of the leading thin-film semiconductors for optoelectronics. Their broad application will greatly depend on overcoming the key obstacles associated with poor stability and limited scalability. There has ...

2019

Chemical exchange at the ferroelectric phase transition of lead germanate revealed by solid state Pb-207 nuclear magnetic resonance

Arnaud Magrez, David Lyndon Emsley, Brennan James Walder, Jasmine Viger-Gravel, Claudia Esther Avalos

The nature of the dynamics and structural changes that take place at the ferroelectric phase transition in lead oxides is a rich field of study. Solid-state nuclear magnetic resonance (NMR) of Pb-207 is well suited to study the local structure and disorder ...

ROYAL SOC CHEMISTRY2019

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

Michael Graetzel, Ulf Anders Hagfeldt, Dominik Józef Kubicki, Wolfgang Richard Tress, Jingshan Luo, David Lyndon Emsley, Albert Hofstetter, Xiaoyan Wang, Zaiwei Wang, Wanchun Xiang, Jiahuan Zhang, Xiaoyu Wang

All-inorganic metal halide perovskites are showing promising development towards efficient long-term stable materials and solar cells. Element doping, especially on the lead site, has been proved to be a useful strategy to obtain the desired film quality a ...

Nature Research2019

Line narrowing in H-1 NMR of powdered organic solids with TOP-CT-MAS experiments at ultra-fast MAS

David Lyndon Emsley, Brennan James Walder, Federico Maria Paruzzo

The residual broadening observed in H-1 spectra of rigid organic solids at natural abundance under 111 kHz magic angle spinning (MAS) is typically a few hundred Hertz. Here we show that refocusable and non-refocusable interactions contribute roughly equall ...

Academic Press Inc - Elsevier Science2019

Lead-Oxygen Bond Length Distributions of the Relaxor Ferroelectric 0.67PbMg(1/3)Nb(2/3)O(3)-0.33PbTiO(3) from Pb-207 Nuclear Magnetic Resonance

David Lyndon Emsley, Brennan James Walder, Claudia Esther Avalos

We investigate changes in the local environment of Pb-207 sites in the relaxor ferroelectric 0.67PbMg(1/3)Nb(2/3)O(3)-0.33PbTiO(3) using variable temperature magic angle spinning nuclear magnetic resonance. We observe a Gaussian distribution of Pb-207 chem ...

AMER CHEMICAL SOC2019

Supramolecular Engineering for Formamidinium-Based Layered 2D Perovskite Solar Cells: Structural Complexity and Dynamics Revealed by Solid-State NMR Spectroscopy

Michael Graetzel, Shaik Mohammed Zakeeruddin, Amita Ummadisingu, Mohammad Ibrahim Dar, Dominik Józef Kubicki, Jeong-Hyeok Im, David Lyndon Emsley, Jiyoun Seo, Yang Li, Jovana Milic, Yang Li, Marco Alejandro Ruiz Preciado

Perovskite solar cells are one of the most promising photovoltaic technologies, although their molecular level design and stability toward environmental factors remain a challenge. Layered 2D Ruddlesden-Popper perovskite phases feature an organic spacer bi ...

WILEY-V C H VERLAG GMBH2019

One- and Two-Dimensional High-Resolution NMR from Flat Surfaces

David Lyndon Emsley, Aaron James Rossini, Brennan James Walder

Determining atomic-level characteristics of molecules on two-dimensional surfaces is one of the fundamental challenges in chemistry. High-resolution nuclear magnetic resonance (NMR) could deliver rich structural information, but its application to two-dime ...

AMER CHEMICAL SOC2019

Topology of Pretreated Wood Fibers Using Dynamic Nuclear Polarization

Jeremy Luterbacher, Arthur César Pinon, David Lyndon Emsley, Jasmine Viger-Gravel, Wu Lan, Michel Bardet, Pierrick Berruyer

In the continuously developing field of lignocellulosic biomass, high-yield lignin depolymerization processes are sought to optimize its productivity and profitability. Recently, formaldehyde stabilization during lignin extraction and biomass pretreatment ...

2019

F-19 Magic Angle Spinning Dynamic Nuclear Polarization Enhanced NMR Spectroscopy

David Benjamin Roger Antoine Gajan, Dominik Józef Kubicki, David Lyndon Emsley, Jasmine Viger-Gravel, Claudia Esther Avalos, Moreno Lelli

The introduction of high-frequency, high-power microwave sources, tailored biradicals, and low-temperature magic angle spinning (MAS) probes has led to a rapid development of hyperpolarization strategies for solids and frozen solutions, leading to large ga ...

Wiley-VCH Verlag GmbH2019

Europium-Doped CsPbI2Br for Stable and Highly Efficient Inorganic Perovskite Solar Cells

Michael Graetzel, Giovanni Dietler, Ulf Anders Hagfeldt, Dominik Józef Kubicki, Wolfgang Richard Tress, Jingshan Luo, David Lyndon Emsley, Jiangtao Zhou, Daniel Prochowicz, Zaiwei Wang, Wanchun Xiang, Seckin Akin

All-inorganic perovskite films hold promise for improving the stability of perovskite solar cells (PSCs). However, the 3D alpha phase of narrow-bandgap inorganic perovskites is thermodynamically unstable at room temperature, limiting the development of hig ...

CELL PRESS2019

Maximizing nuclear hyperpolarization in pulse cooling under MAS

Nicolas Luc Matthey, David Lyndon Emsley, Brennan James Walder

It has recently been shown how dynamic nuclear polarization can be used to hyperpolarize the bulk of proton-free solids. This is achieved by generating the polarization in a wetting phase, transferring it to nuclei near the surface and relaying it towards ...

Academic Press Inc - Elsevier Science2019

Formation of Stable Mixed Guanidinium–Methylammonium Phases with Exceptionally Long Carrier Lifetimes for High-Efficiency Lead Iodide-Based Perovskite Photovoltaics

Shaik Mohammed Zakeeruddin, Norman Pellet, Dominik Józef Kubicki, David Lyndon Emsley, Dongqin Bi, Albert Hofstetter, Pankaj Kumar Yadav, Daniel Prochowicz

Methylammonium (MA)- and formamidinium (FA)-based organic-inorganic lead halide perovskites provide outstanding performance as photovoltaic materials, due to their versatility of fabrication and their power conversion efficiencies reaching over 22%. The pr ...

2018

Multifunctional molecular modulators for perovskite solar cells with over 20% efficiency and high operational stability

Shaik Mohammed Zakeeruddin, Pierre Mettraux, Norman Pellet, Dominik Józef Kubicki, Xiong Li, Jingshan Luo, David Lyndon Emsley, Dongqin Bi, Jovana Milic

Perovskite solar cells present one of the most prominent photovoltaic technologies, yet their stability, scalability, and engineering at the molecular level remain challenging. We demonstrate a concept of multifunctional molecular modulation of scalable an ...

Nature Research2018

Elucidating an Amorphous Form Stabilization Mechanism for Tenapanor Hydrochloride: Crystal Structure Analysis Using X-ray Diffraction, NMR Crystallography, and Molecular Modeling

David Lyndon Emsley

2018

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David Lyndon Emsley

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Dynamic Nuclear Polarization Magic-Angle Spinning Nuclear Magnetic Resonance Combined with Molecular Dynamics Simulations Permits Detection of Order and Disorder in Viral Assemblies

Rapid Structure Determination of Molecular Solids Using Chemical Shifts Directed by Unambiguous Prior Constraints

Multifunctional Molecular Modulation for Efficient and Stable Hybrid Perovskite Solar Cells

Chemical exchange at the ferroelectric phase transition of lead germanate revealed by solid state Pb-207 nuclear magnetic resonance

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

Line narrowing in H-1 NMR of powdered organic solids with TOP-CT-MAS experiments at ultra-fast MAS

Lead-Oxygen Bond Length Distributions of the Relaxor Ferroelectric 0.67PbMg(1/3)Nb(2/3)O(3)-0.33PbTiO(3) from Pb-207 Nuclear Magnetic Resonance

Supramolecular Engineering for Formamidinium-Based Layered 2D Perovskite Solar Cells: Structural Complexity and Dynamics Revealed by Solid-State NMR Spectroscopy

One- and Two-Dimensional High-Resolution NMR from Flat Surfaces

Topology of Pretreated Wood Fibers Using Dynamic Nuclear Polarization

F-19 Magic Angle Spinning Dynamic Nuclear Polarization Enhanced NMR Spectroscopy

Europium-Doped CsPbI2Br for Stable and Highly Efficient Inorganic Perovskite Solar Cells

Maximizing nuclear hyperpolarization in pulse cooling under MAS

Formation of Stable Mixed Guanidinium–Methylammonium Phases with Exceptionally Long Carrier Lifetimes for High-Efficiency Lead Iodide-Based Perovskite Photovoltaics

Multifunctional molecular modulators for perovskite solar cells with over 20% efficiency and high operational stability

Solvent effects on the polarization transfer between a photo-excited spin-polarized radical pair and a TEMPO radical

Bulk Nuclear Hyperpolarization of Inorganic Solids by Relay from the Surface

DNP enhanced NMR with flip-back recovery

DNP-enhanced solid-state NMR spectroscopy of active pharmaceutical ingredients

Elucidating an Amorphous Form Stabilization Mechanism for Tenapanor Hydrochloride: Crystal Structure Analysis Using X-ray Diffraction, NMR Crystallography, and Molecular Modeling