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David Lyndon Emsley

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Publications associées (178)

Light-Induced Metallic and Paramagnetic Defects in Halide Perovskites from Magnetic Resonance

David Lyndon Emsley, Aditya Mishra, Michael Allan Hope

Halide perovskites are promising next-generation solar cell materials, but their commercialization is hampered by their propensity to degrade under operating conditions, particularly under heat, humidity, and light. Identifying degradation products and lin ...

2024

Maximizing Relayed 1H Hyperpolarization Transfer by Slow-Fast MAS NMR Spectroscopy

David Lyndon Emsley, Pierrick Berruyer, Saumya Badoni

1H-detected dynamic nuclear polarization (DNP)-enhanced fast magic angle spinning (MAS) NMR experiments provide unprecedented sensitivity to study the structure and dynamics in advanced materials and biomolecules. However, in relayed DNP experiments, DNP e ...

2024

Efficient DNP at high fields and fast MAS with antenna-sensitized dinitroxides

David Lyndon Emsley, Amrit Venkatesh

Dynamic Nuclear Polarization (DNP) can significantly enhance the sensitivity of solid-state NMR. In DNP, microwave irradiation induces polarization transfer from unpaired electron spins to 1H nuclear spins via hyperfine couplings and spin-diffusion. The st ...

2024

Crystal structure validation of verinurad via proton-detected ultra-fast MAS NMR and machine learning

Manuel Cordova, David Lyndon Emsley, Pinelopi Moutzouri, Daria Torodii

The recent development of ultra-fast magic-angle spinning (MAS) (>100 kHz) provides new opportunities for structural characterization in solids. Here, we use NMR crystallography to validate the structure of verinurad, a microcrystalline active pharmaceutic ...

2024

An Efficient and Stable Polarizing Agent for In-Cell Magic-Angle Spinning Dynamic Nuclear Polarization NMR Spectroscopy

Marinella Mazzanti, David Lyndon Emsley, Pierrick Berruyer, Andrea Bertarello, Amrit Venkatesh

Nuclear Magnetic Resonance (NMR) spectroscopy would be a method of choice to follow biochemical events in cells because it can analyze molecules in complex environments. However, the intrinsically low sensitivity of NMR makes in-cell measurements challengi ...

2024

Hydrogen Diffusion in Hybrid Perovskites from Exchange NMR

David Lyndon Emsley, Aditya Mishra

Ion migration is an important phenomenon affecting the performance of hybrid perovskite solar cells. It is particularly challenging, however, to disentangle the contribution of H+ diffusion from that of other ions, and the atomic-scale mechanism remains un ...

AMER CHEMICAL SOC2024

Speciation of Lanthanide Metal Ion Dopants in Microcrystalline All-Inorganic Halide Perovskite CsPbCl3

Amita Ummadisingu, Dominik Józef Kubicki, David Lyndon Emsley, Albert Hofstetter, Daniel Prochowicz

Lanthanides are versatile modulators of optoelectronic properties owing to their narrow optical emission spectra across the visible and near-infrared range. Their use in metal halide perovskites (MHPs) has recently gained prominence, although their fate in ...

Amer Chemical Soc2024

Light-Induced 1H NMR Hyperpolarization in Solids at 9.4 and 21.1 T

David Lyndon Emsley, Michael Allan Hope, Máté Visegrádi, Federico De Biasi

The inherently low sensitivity of nuclear magnetic resonance (NMR) spectroscopy is the major limiting factor for its application to elucidate structure and dynamics in solids. In the solid state, nuclear spin hyperpolarization methods based on microwave-in ...

2024

Formamidinium Incorporates into Rb-based Non-Perovskite Phases in Solar Cell Formulations

Michael Graetzel, David Lyndon Emsley, Michael Allan Hope, Lukas Pfeifer, Ümmügülsüm Günes, Yuxuan Zhang, Likai Zheng

Organic-inorganic hybrid perovskite materials, such as formamidinium lead iodide (FAPbI3), are among the most promising emerging photovoltaic materials. However, the spontaneous phase transition from the photoactive perovskite phase to an inactive non-pero ...

Wiley-VCH Verlag GmbH2024

Barriers to resolution in 1H NMR of rotating solids

David Lyndon Emsley, Pinelopi Moutzouri, Bruno Simões de Almeida, Daria Torodii

The role of 1H solid-state NMR in structure elucidation of solids is becoming more preponderant, particularly as faster magic-angle spinning rates (MAS) become available which improve 1H detected assignment strategies. However, current 1H spectral resoluti ...

Academic Press Inc - Elsevier Science2023

Light-Induced Halide Segregation in 2D and Quasi-2D Mixed-Halide Perovskites

Manuel Cordova, David Lyndon Emsley, Aditya Mishra, Michael Allan Hope

Photoinduced halide segregation hinders widespread application of three-dimensional (3D) mixed-halide perovskites. Much less is known about this phenomenon in lower-dimensional systems. Here, we study photoinduced halide segregation in lower-dimensional mi ...

AMER CHEMICAL SOC2023

Atomic-level structure determination of amorphous molecular solids by NMR

Manuel Cordova, Arthur César Pinon, David Lyndon Emsley, Pinelopi Moutzouri

Structure determination of amorphous materials remains challenging, owing to the disorder inherent to these materials. Nuclear magnetic resonance (NMR) powder crystallography is a powerful method to determine the structure of molecular solids, but disorder ...

Nature Portfolio2023

Chemical Shift-Dependent Interaction Maps in Molecular Solids

Manuel Cordova, David Lyndon Emsley

Structure determinationof molecular solids through NMR crystallographyrelies on the generation of a comprehensive set of candidate crystalstructures and on the comparison of chemical shifts computed for thosecandidates with experimental values. Exploring t ...

AMER CHEMICAL SOC2023

Cooperative passivation of perovskite solar cells by alkyldimethylammonium halide amphiphiles

Michael Graetzel, Shaik Mohammed Zakeeruddin, Ursula Röthlisberger, Ulf Anders Hagfeldt, Thomas Paul Baumeler, David Lyndon Emsley, Essa Awadh R Alharbi, Mathias Dankl, Aditya Mishra, Felix Thomas Eickemeyer, Michael Allan Hope, Anurag Krishna, Olivier Ouellette, Lukas Pfeifer, Nikolaos Lempesis, Georgios Kakavelakis

2023

A General Method for The Structure Determination of Amorphous Drugs By NMR

Manuel Cordova, David Lyndon Emsley, Pinelopi Moutzouri

Int Union Crystallography2023

Two-dimensional Pure Isotropic Proton Solid State NMR

Manuel Cordova, David Lyndon Emsley, Pinelopi Moutzouri, Bruno Simões de Almeida, Daria Torodii

One key bottleneck of solid-state NMR spectroscopy is that H-1 NMR spectra of organic solids are often very broad due to the presence of a strong network of dipolar couplings. We have recently suggested a new approach to tackle this problem. More specifica ...

Wiley-VCH Verlag GmbH2023

Dynamic Nuclear Polarization of Inorganic Halide Perovskites

Dominik Józef Kubicki, David Lyndon Emsley, Gabriele Stevanato, Aditya Mishra, Michael Allan Hope

NMR, EPR, XRD datasets and SEM image for the research article titled "Dynamic Nuclear Polarization of Inorganic Halide Perovskites". For further details see the readme.txt file. ...

Zenodo2023

Improvements in Resolution of 1H NMR of Solids

David Lyndon Emsley, Bruno Simões de Almeida

Magic angle spinning (MAS) in 1H NMR has allowed progress from featureless spectra in static samples to linewidths of a few hundreds of Hertz for powdered solids at the fastest spinning rates available today (100-150 kHz). While this is a remarkable improv ...

SWISS CHEMICAL SOC2023

A Complete Picture of Cation Dynamics in Hybrid Perovskite Materials from Solid-State NMR Spectroscopy

Michael Graetzel, David Lyndon Emsley, Aditya Mishra, Michael Allan Hope

The organic cations in hybrid organic-inorganic perovskites rotate rapidly inside the cuboctahedral cavities formed by the inorganic lattice, influencing optoelectronic properties. Here, we provide a complete quantitative picture of cation dynamics for for ...

AMER CHEMICAL SOC2023

Deuterated TEKPol Biradicals and the Spin-Diffusion Barrier in MAS DNP

Dominik Józef Kubicki, David Lyndon Emsley, Yu Rao, Amrit Venkatesh, Federico De Biasi

The sensitivity of NMR spectroscopy is considerably enhanced by dynamic nuclear polarization (DNP). In DNP polarization is transferred from unpaired electrons of a polarizing agent to nearby proton spins. In solids, this transfer is followed by the transpo ...

Wiley-VCH Verlag GmbH2023

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