Publications by David Lyndon Emsley

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Biological mineralized tissues are hybrid materials with complex hierarchical architecture composed of biominerals often embedded in an organic matrix. The atomic-scale comprehension of surfaces and organo-mineral interfaces of these biominerals is of para ...

Surface and bulk molecular modulators are the key to improving the efficiency and stability of hybrid perovskite solar cells. However, due to their low concentration, heterogeneous environments, and low sample mass, it remains challenging to characterize t ...

Dion-Jacobson (DJ) iodoplumbates based on 1,4-phenylenedimethanammonium (PDMA) have recently emerged as promising light absorbers for perovskite solar cells. While PDMA is one of the simplest aromatic spacers potentially capable of forming a DJ structure b ...

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 ...

Chemical modifications of cellulose fibers as pretreatment for cellulose nanofibrils (CNF) production have been investigated to improve the production process and the quality of obtained cellulosic nanomaterial. In this study, phosphorylation of cellulose ...

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 ...

Dynamic nuclear polarisation (DNP) of solids doped with high-spin metal ions, such as Gd3+, is a useful strategy to enhance the nuclear magnetic resonance (NMR) sensitivity for these samples. Spin diffusion can relay polarisation throughout a sample, which ...

Interfacial modification is crucial to fully develop the potential of semiconductor devices, including the revolutionary halide perovskite-based optoelectronics, such as photovoltaics, light-emitting diodes, and photodetectors. The all-inorganic halide per ...

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 ...

Nuclear magnetic resonance (NMR) chemical shifts are a direct probe of local atomic environments and can be used to determine the structure of solid materials. However, the substantial computational cost required to predict accurate chemical shifts is a ke ...

Amorphous formulations are increasingly used in the pharmaceutical industry due to their increased solubility, but their structural characterization at atomic-level resolution remains extremely challenging. Here, we characterize the complete atomic-level s ...

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 ...

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 ...

Despite use of blended cements containing significant amounts of aluminum for over 30 years, the structural nature of aluminum in the main hydration product, calcium aluminate silicate hydrate (C-A-S-H), remains elusive. Using first-principles calculations ...

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 ...

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 ...

Elucidating the binding mode of carboxylate-containing ligands to gold nanoparticles (AuNPs) is crucial to understand their stabilizing role. A detailed picture of the three-dimensional structure and coordination modes of citrate, acetate, succinate and gl ...

CsPbI3 is a promising material for optoelectronics owing to its thermal robustness and favorable bandgap. However, its fabrication is challenging because its photoactive phase is thermodynamically unstable at room temperature. Adding dimethylammonium (DMA) ...

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 ...

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 ...

David Lyndon Emsley

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Structural description of surfaces and interfaces in biominerals by DNP SENS

Dynamic Nuclear Polarization Enables NMR of Surface Passivating Agents on Hybrid Perovskite Thin Films

Multi-Length Scale Structure of 2D/3D Dion-Jacobson Hybrid Perovskites Based on an Aromatic Diammonium Spacer

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

Cellulose phosphorylation comparison and analysis of phosphorate position on cellulose fibers

Solid-state NMR spectroscopy

Dynamic nuclear polarisation of 1H in Gd-doped In(OH)3

Intermediate Phase Enhances Inorganic Perovskite and Metal Oxide Interface for Efficient Photovoltaics

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

A Machine Learning Model of Chemical Shifts for Chemically and Structurally Diverse Molecular Solids

Three-Dimensional Atomic-Level Structure of an Amorphous Glucagon-Like Peptide-1 Receptor Agonist

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

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

The Atomic-Level Structure of Cementitious Calcium Aluminate Silicate Hydrate

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

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

The structure and binding mode of citrate in the stabilization of gold nanoparticles

Interplay of Kinetic and Thermodynamic Reaction Control Explains Incorporation of Dimethylammonium Iodide into CsPbI3

Maximizing nuclear hyperpolarization in pulse cooling under MAS

Hydrogen Diffusion in Hybrid Perovskites from Exchange NMR