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David Lyndon Emsley

Cette personne a quitté l’EPFL

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Publications associées (166)

Page 4 sur 9

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

Dominik Józef Kubicki, David Lyndon Emsley, Daniel Prochowicz

Organic-inorganic tin(II) halide perovskites have emerged as promising alternatives to lead halide perovskites in optoelectronic applications. While they suffer from considerably poorer performance and stability in comparison to their lead analogues, their ...

2020

Hyperpolarization transfer pathways in inorganic materials

David Lyndon Emsley, Brennan James Walder, Snaedis Björgvinsdóttir, Pinelopi Moutzouri

Dynamic nuclear polarization can be used to hyperpolarize the bulk of proton-free inorganic materials in magic angle spinning NMR experiments. The hyperpolarization is generated on the surface of the material with incipient wetness impregnation and from th ...

Academic Press Inc - Elsevier Science2020

A Factor Two Improvement in High-Field Dynamic Nuclear Polarization from Gd(III) Complexes by Design

Anne-Sophie Chauvin, Marinella Mazzanti, Dominik Józef Kubicki, David Lyndon Emsley, Gabriele Stevanato

Gadolinium(III) complexes have recently been demonstrated to have potential as polarizing agents for high-field dynamic nuclear polarization (DNP) NMR spectroscopy. By tailoring the ligand design to reduce the zero-field splitting (ZFS), we demonstrate a q ...

2019

Bayesian probabilistic assignment of chemical shifts in organic solids

Michele Ceriotti, Manuel Cordova, David Lyndon Emsley, Martins Balodis, Bruno Simões de Almeida

A prerequisite for NMR studies of organic materials is assigning each experimental chemical shift to a set of geometrically equivalent nuclei. Obtaining the assignment experimentally can be challenging and typically requires time-consuming multidimensional ...

2021

Two-step immobilization of metronidazole prodrug on TEMPO cellulose nanofibrils through thiol-yne click chemistry for in situ controlled release

David Lyndon Emsley, Jasmine Viger-Gravel

Nowadays, drug encapsulation and drug release from cellulose nanofibrils systems are intense research topics, and commercial grades of cellulose nanomaterials are currently available. In this work we present an ester-containing prodrug of metronidazole tha ...

ELSEVIER SCI LTD2021

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

Advanced characterization of regioselectively substituted methylcellulose model compounds by DNP enhanced solid-state NMR spectroscopy

David Lyndon Emsley, Pierrick Berruyer, Pinelopi Moutzouri

Dynamic Nuclear Polarization MAS NMR is introduced to characterize model methylcellulose ether compounds at natural isotopic abundance. In particular an approach is provided to determine the position of the methyl ether group within the repeating unit. Spe ...

2021

High Sensitivity Detection of a Solubility Limiting Surface Transformation of Drug Particles by DNP SENS

Arthur César Pinon, David Lyndon Emsley, Jasmine Viger-Gravel

We investigate the presence of a surface species for the active pharmaceutical ingredient (API) AZD9496 with dynamic nuclear polarization surface enhanced nuclear spectroscopy (DNP SENS). We show that using DNP we can elucidate the presence of an amorphous ...

2021

A Deep Learning Model for Chemical Shieldings in Molecular Organic Solids Including Anisotropy

Michele Ceriotti, David Lyndon Emsley, Matthias Linus Kellner, Florian Mathieu Pascal Viscosi, Yuxuan Zhang, Jacob Brian Holmes, Ruben Rodriguez Madrid

Nuclear Magnetic Resonance (NMR) chemical shifts are powerful probes of local atomic and electronic structure that can be used to resolve the structures of powdered or amorphous molecular solids. Chemical shift driven structure elucidation depends critical ...

AMER CHEMICAL SOC2025

Hierarchy of the Components in Spray-Dried, Protein-Excipient Particles Using DNP-Enhanced NMR Spectroscopy

David Lyndon Emsley, Baptiste Busi, Pierrick Berruyer, Andrea Bertarello

Protein-based drugs are becoming increasingly important, but there are challenges associated with their formulation (for example, formulating stable inhalable aerosols while maintaining the proper long-term stability of the protein). Determining the morpho ...

Amer Chemical Soc2023

Efficient and Stable Large Bandgap MAPbBr(3) Perovskite Solar Cell Attaining an Open Circuit Voltage of 1.65 V

Michael Graetzel, Shaik Mohammed Zakeeruddin, Thomas Paul Baumeler, David Lyndon Emsley, Linfeng Pan, Anwar Qasem M Alanazi, Yuhang Liu, Jing Gao, Felix Thomas Eickemeyer, Hongwei Zhu, Michael Allan Hope, Olivier Ouellette

We report on the preparation of MAPbBr(3) perovskite films of high electronic quality by applying a methylamine (MA) vapor treatment and mitigating surface defects using the amphiphilic molecular passivator, neopentylammonium chloride (NPACl). We find that ...

2022

Polymorphs of Theophylline Characterized by DNP Enhanced Solid-State NMR

Arthur César Pinon, David Lyndon Emsley, Aaron James Rossini

We show how dynamic nuclear polarization (DNP) enhanced solid-state NMR spectroscopy can be used to characterize polymorphs and solvates of organic solids. We applied DNP to three polymorphs and one hydrated form of the asthma drug molecule theophylline. F ...

American Chemical Society2015

Dynamic nuclear polarization of quadrupolar nuclei using cross polarization from protons: surface-enhanced aluminium-27 NMR

Geoffrey Bodenhausen, Pascal Miéville, Marc Anthony Caporini, Diego Carnevale, David Lyndon Emsley, Aaron James Rossini

The surface of gamma-alumina nanoparticles can be characterized by dynamic nuclear polarization (DNP) surface-enhanced NMR of Al-27. DNP is combined with cross-polarization and MQ-MAS to determine local symmetries of Al-27 sites at the surface. ...

Royal Society of Chemistry2012

Naphthalenediimide/Formamidinium-Based Low-Dimensional Perovskites

Michael Graetzel, Jacques-Edouard Moser, Shaik Mohammed Zakeeruddin, Ursula Röthlisberger, Marko Mladenovic, Dominik Józef Kubicki, David Lyndon Emsley, Farzaneh Jahanbakhshi, Paramvir Ahlawat, Pascal Alexander Schouwink, Jovana Milic, George Cameron Fish, Marco Alejandro Ruiz Preciado, Masaud Hassan S Almalki, Aditya Mishra

Low-dimensional hybrid perovskites have emerged as promising materials for optoelectronic applications. Although these materials have already demonstrated enhanced stability as compared to their three-dimensional perovskite analogues, their functionality h ...

2021

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

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

The Atomic-Level Structure of Cementitious Calcium Aluminate Silicate Hydrate Determined by NMR

David Lyndon Emsley, Pinelopi Moutzouri

We review our recent paper which resolves the long-standing dilemma of the location and nature of the six-fold coordinated aluminum in calcium aluminate silicate hydrate (C-A-S-H) samples. First principles calculations predict that at high Ca:Si and H2O ra ...

2021

Chemical shifts in molecular solids by machine learning

Félix Benedito Clément Musil, Michele Ceriotti, Maxime Lagier, David Lyndon Emsley, Sandip De, Albert Hofstetter, Federico Maria Paruzzo

Due to their strong dependence on local atonic environments, NMR chemical shifts are among the most powerful tools for strucutre elucidation of powdered solids or amorphous materials. Unfortunately, using them for structure determination depends on the abi ...

Nature Research2018

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

Fast remote correlation experiments for 1H homonuclear decoupling in solids

David Lyndon Emsley, Pinelopi Moutzouri, Bruno Simões de Almeida

In 1H MAS spectra, the residual homogeneous broadening under MAS is due to a combination of higher-order shifts and splittings. We have recently shown how the two-dimensional anti-z-COSY experiment can be used for the removal of the splittings. However, th ...

Academic Press Inc - Elsevier Science2020