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

Probing Protein Dynamics Using Multifield Variable Temperature NMR Relaxation and Molecular Dynamics Simulation

Nicola Salvi, David Lyndon Emsley, Albert Hofstetter, Jayasubba Reddy Yarava, Baptiste Busi

Understanding the interplay between protein function and dynamics is currently one of the fundamental challenges of physical biology. Recently, a method using variable temperature solid-state nuclear magnetic resonance relaxation measurements has been prop ...

2018

207Pb NMR of ferroelectric perovskite lead germanate at and below the paraelectric phase transition

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

AMER CHEMICAL SOC2018

Resolving the Core and the Surface of CdSe Quantum Dots and Nanoplatelets Using Dynamic Nuclear Polarization Enhanced PASS-PIETA NMR Spectroscopy

David Lyndon Emsley, Brennan James Walder, Laura Piveteau

Understanding the surface of semiconductor nanocrystals (NCs) prepared using colloidal methods is a long-standing goal of paramount importance for all their potential optoelectronic applications, which remains unsolved largely because of the lack of site-s ...

2018

Structure of Lipid Nanoparticles Containing siRNA or mRNA by Dynamic Nuclear Polarization-Enhanced NMR Spectroscopy

Arthur César Pinon, David Lyndon Emsley, Aaron James Rossini, Jasmine Viger-Gravel

Here, we show how dynamic nuclear polarization (DNP) NMR spectroscopy experiments permit the atomic level structural characterization of loaded and empty lipid nanoparticles (LNPs). The LNPs used here were synthesized by the microfluidic mixing technique a ...

2018

DNP in Materials Science: Touching the Surface

David Lyndon Emsley, Pierrick Berruyer

Dynamic nuclear polarization (DNP)-enhanced solid-state NMR spectroscopy under magic-angle spinning has recently emerged as a unique analytical method to probe surfaces at atomic resolution. In this article, we first describe the basic principles of dynami ...

WILEY2018

BDPA-Nitroxide Biradicals Tailored for Efficient Dynamic Nuclear Polarization Enhanced Solid-State NMR at Magnetic Fields up to 21.1 T

David Benjamin Roger Antoine Gajan, Dominik Józef Kubicki, Arthur César Pinon, David Lyndon Emsley, Aaron James Rossini, Georges Guévork Jean-Jacques Menzildjian, Moreno Lelli

Dynamic nuclear polarization (DNP) solid-state nuclear magnetic resonance (NMR) has developed into an invaluable tool for the investigation of a wide range of materials. However, the sensitivity gain achieved with many polarizing agents suffers from an unf ...

AMER CHEMICAL SOC2018

Addition of adamantylammonium iodide to hole transport layers enables highly efficient and electroluminescent perovskite solar cells

Michael Graetzel, Dominik Józef Kubicki, Wolfgang Richard Tress, David Lyndon Emsley, Mohammad Mahdi Tavakoli, Jovana Milic

The efficiency of perovskite solar cells (PSCs) is currently limited by non-radiative recombination losses. One potential loss channel consists of electrons recombining at the interface with the hole transport layer (HTL). We synthesized adamantylammonium ...

ROYAL SOC CHEMISTRY2018

Core-Shell Structure of Organic Crystalline Nanoparticles Determined by Relayed Dynamic Nuclear Polarization NMR

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

The structure of crystalline nanoparticles (CNPs) is determined using dynamic nuclear polarization (DNP) enhanced NMR spectroscopy experiments. The CNPs are composed of a crystalline core containing an active pharmaceutical ingredient (compound P), coated ...

AMER CHEMICAL SOC2018

Using 207Pb NMR to investigate temperature dependent nuclear spin relaxation and Pb-O bond covalency in relaxor ferroelectrics

David Lyndon Emsley, Brennan James Walder, Claudia Esther Avalos

AMER CHEMICAL SOC2018

Direct observation of three-dimensional atomic-level structures on the surface of catalytic nanoparticles

David Lyndon Emsley

ACS2018

Phase Segregation in Cs-, Rb- and K-Doped Mixed-Cation (MA)(x)(FA)(1-x)Pbl(3) Hybrid Perovskites from Solid-State NMR

Michael Graetzel, Shaik Mohammed Zakeeruddin, Dominik Józef Kubicki, David Lyndon Emsley, Albert Hofstetter, Daniel Prochowicz

Hybrid (organic-inorganic) multication lead halide perovskites hold promise for a new generation of easily processable solar cells. Best performing compositions to date are multiple-cation solid alloys of formamidinium (FA), methylammonium (MA), cesium, an ...

American Chemical Society2017

Cation Dynamics in Mixed-Cation (MA)(x)(FA)(1-x)PbI3 Hybrid Perovskites from Solid-State NMR

Michael Graetzel, Shaik Mohammed Zakeeruddin, Péter Kalman Péchy, Dominik Józef Kubicki, David Lyndon Emsley, Albert Hofstetter, Daniel Prochowicz

Mixed-cation organic lead halide perovskites attract unfaltering attention owing to their excellent photovoltaic properties. Currently, the best performing perovskite materials contain multiple cations and provide power conversion efficiencies up to around ...

2017

Positional Variance in NMR Crystallography

David Lyndon Emsley, Albert Hofstetter

We propose a method to quantify positional uncertainties in crystal structures determined by chemical-shift-based NMR crystallography. The method combines molecular dynamics simulations and density functional theory calculations with experimental and compu ...

American Chemical Society2017

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