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David Lyndon Emsley

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Publications associées (178)

Reply to "Inconsistencies in the specific nucleobase pairing motif prone to photodimerization in a MOF nanoreactor"

Berend Smit, Dominik Józef Kubicki, David Lyndon Emsley, Samantha Lynn Anderson, Kyriakos Stylianou, Peter George Boyd, Andrzej Gladysiak, Ngoc Tú Nguyên

Nature Portfolio2022

Benzylammonium‐Mediated Formamidinium Lead Iodide Perovskite Phase Stabilization for Photovoltaics

Michael Graetzel, Shaik Mohammed Zakeeruddin, Ulf Anders Hagfeldt, Dominik Józef Kubicki, David Lyndon Emsley, Zaiwei Wang, Anwar Qasem M Alanazi, Jovana Milic, Dan Ren, Masaud Hassan S Almalki, Aditya Mishra, Felix Thomas Eickemeyer, Hong Zhang

There is an ongoing surge of interest in the use of formamidinium (FA) lead iodide perovskites in photovoltaics due to their exceptional optoelectronic properties. However, thermodynamic instability of the desired cubic perovskite (α-FAPbI3) phase at ambie ...

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

Scaling analyses for hyperpolarization transfer across a spin-diffusion barrier and into bulk solid media

Arthur César Pinon, David Lyndon Emsley, Bradley Floyd Chmelka

By analogy to heat and mass transfer film theory, a general approach is introduced for determining hyperpolarization transfer rates between dilute electron spins and a surrounding nuclear ensemble. These analyses provide new quantitative relationships for ...

2021

Unravelling the Behavior of Dion-Jacobson Layered Hybrid Perovskites in Humid Environments

Michael Graetzel, David Lyndon Emsley, Jovana Milic, Algirdas Ducinskas, Aditya Mishra, Michael Allan Hope

Layered hybrid halide perovskites are known to be more environmentally stable than their 3D analogues. The enhanced stability is particularly relevant for Dion-Jacobson-type layered perovskites due to their promising photovoltaic performances. However, in ...

2021

Multimodal host–guest complexation for efficient and stable perovskite photovoltaics

Michael Graetzel, Shaik Mohammed Zakeeruddin, Ursula Röthlisberger, Ulf Anders Hagfeldt, Marko Mladenovic, David Lyndon Emsley, Farzaneh Jahanbakhshi, Paramvir Ahlawat, Zaiwei Wang, Jovana Milic, Dan Ren, Aditya Mishra, Felix Thomas Eickemeyer, Hong Zhang, Zhaowen Dong, Jinming Guo, Michael Allan Hope, Anurag Krishna, Olivier Ouellette, Tzu-Sen Su, Zhiwen Zhou

Formamidinium lead iodide perovskites are promising light-harvesting materials, yet stabilizing them under operating conditions without compromising optimal optoelectronic properties remains challenging. We report a multimodal host–guest complexation strat ...

Nature Research2021

Bulk Hyperpolarization of Inorganic Materials

David Lyndon Emsley, Snaedis Björgvinsdóttir

Solid-state NMR spectroscopy is a well-established method to obtain atomic-level information about the structure of inorganic materials, but its use is often limited by low sensitivity. We review how solvent generated dynamic nuclear polarization can be us ...

2021

Similarities and Differences among Protein Dynamics Studied by Variable Temperature Nuclear Magnetic Resonance Relaxation

François Freymond, David Lyndon Emsley, Jayasubba Reddy Yarava, Baptiste Busi, Andrea Bertarello

Understanding and describing the dynamics of proteins is one of the major challenges in biology. Here, we use multifield variable-temperature NMR longitudinal relaxation (R-1) measurements to determine the hierarchical activation energies of motions of fou ...

AMER CHEMICAL SOC2021

Solid-state NMR spectroscopy

David Lyndon Emsley

Solid-state nuclear magnetic resonance (NMR) spectroscopy is an atomic-level method to determine the chemical structure, 3D structure and dynamics of solids and semi-solids. This Primer summarizes the basic principles of NMR spectroscopy as applied to the ...

SPRINGERNATURE2021

Nanoscale Phase Segregation in Supramolecular π-Templating for Hybrid Perovskite Photovoltaics from NMR Crystallography

Michael Graetzel, Shaik Mohammed Zakeeruddin, Ursula Röthlisberger, Ulf Anders Hagfeldt, Marko Mladenovic, Dominik Józef Kubicki, Manuel Cordova, David Lyndon Emsley, Farzaneh Jahanbakhshi, Paramvir Ahlawat, Loï Charles Carbone, Yuhang Liu, Brian Irving Carlsen, Jovana Milic, Rashmi Runjhun, Aditya Mishra, Toru Nakamura, Michael Allan Hope, Thomas Schneeberger

The use of layered perovskites is an important strategy to improve the stability of hybrid perovskite materials and their optoelectronic devices. However, tailoring their properties requires accurate structure determination at the atomic scale, which is a ...

2021

Structure determination of an amorphous drug through large-scale NMR predictions

Manuel Cordova, David Lyndon Emsley, Albert Hofstetter, Federico Maria Paruzzo, Martins Balodis, Pierrick Berruyer, Bruno Simões de Almeida

Knowledge of the structure of amorphous solids can direct, for example, the optimization of pharmaceutical formulations, but atomic-level structure determination in amorphous molecular solids has so far not been possible. Solid-state nuclear magnetic reson ...

Nature Research2021

Decoupling the effects of defects on efficiency and stability through phosphonates in stable halide perovskite solar cells

Michael Graetzel, Shaik Mohammed Zakeeruddin, Ulf Anders Hagfeldt, Dominik Józef Kubicki, David Lyndon Emsley, Hui-Seon Kim, Zaiwei Wang, Anand Agarwalla

Understanding defects is of paramount importance for the development of stable halide perovskite solar cells (PSCs). However, isolating their distinctive effects on device efficiency and stability is currently a challenge. We report that adding the organic ...

CELL PRESS2021

Pure Isotropic Proton Solid State NMR

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

Resolution in proton solid state magic angle sample spinning (MAS) NMR is limited by the intrinsically imperfect nature of coherent averaging induced by either MAS or multiple pulse sequence methods. Here, we suggest that instead of optimizing and perfecti ...

2021

Structure determination of amorphous molecular solids by NMR crystallography

David Lyndon Emsley

INT UNION CRYSTALLOGRAPHY2021

Iron incorporation in synthetic precipitated calcium silicate hydrates

Paul Bowen, Jirawan Siramanont, David Lyndon Emsley, Brennan James Walder

Effect of Fe3+ on the precipitation of synthetic calcium silicate hydrates (C-S-H) under controlled conditions has been evaluated. Using extremely basic either initial calcium nitrate or sodium silicate solutions (pH > 11), incipient formation of ferrihydr ...

Pergamon-Elsevier Science Ltd2021

A Magic Angle Spinning Activated O-17 DNP Raser

David Lyndon Emsley, Snaedis Björgvinsdóttir, Michael Allan Hope

In the raser effect, a sample spontaneously emits continuous radiofrequency radiation, allowing exceptionally narrow NMR line widths to be recorded without applying pulses. To achieve this phenomenon, a large negative magnetization must be induced, which w ...

2021

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

Quantification of magic angle spinning dynamic nuclear polarization NMR spectra

David Lyndon Emsley, Pierrick Berruyer, Andrea Bertarello

Dynamic nuclear polarization (DNP) allows to dramatically enhance the sensitivity of magic angle spinning nuclear magnetic resonance (MAS NMR). DNP experiments usually rely on the detection of low-γ nuclei hyperpolarized from 1H with the use of cross polar ...

Academic Press Inc - Elsevier Science2021

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

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

David Lyndon Emsley, Michel Bardet, 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

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