Results 151 to 160 of about 56,612 (312)
Protein Dynamics and its Correlation to Protein Activity and Stability
, 2009 The aim of this thesis is to investigate the role of fast protein dynamics (picosecond timescale) in enzyme activity and stability, and specifically to test the hypothesis that enzyme activity and stability are inversely related by their internal ...
Clement, David
core
Structural studies into AM(_2)O(_7) framework materials and parametric Rietveld refinement [PDF]
, 2006 This thesis investigates the structural properties of the AM2O7 family of materials, many of which show interesting thermal expansion properties and remarkably complex structures.
Stinton, Graham William
core
Advanced Energy Materials, EarlyView.Silicon anodes in sulfide SSBs face coupled electrochemo‐mechanical failure by interface instability. This review examined recent advances and proposed mitigation strategies via material‐, electrode/interface‐, and cell‐level‐ engineering. We further evaluate scalable synthesis of sulfide SEs.
Murugesan Karuppaiah +4 more
wiley +1 more source
Angewandte Chemie, EarlyView.Bayesian optimization was used to optimize the synthesis parameters of the solid electrolyte Li7SiPS8$\mathrm {Li}_7\mathrm {SiPS}_8$ in order to increase the ionic conductivity. After only 32 iterations, the ionic conductivity was successfully increased from 2 to 7 mS cm−1$\mathrm {cm}^{-1}$ at 25∘C$^\circ\mathrm {C}$, while synthesis temperature and ...
Lucas G. Balzat +8 more
wiley +2 more sources
Mechanisms of Alkali Ionic Transport in Amorphous Oxyhalides Solid State Conductors
Advanced Energy Materials, EarlyView.Large‐scale machine learning‐based molecular dynamics simulations are used to investigate isovalent amorphous oxyhalides, revealing a remarkable chemically independent ionic conductivity. A rigorous analysis of alkali residence times across different metal–anion environments identifies divalent anions as key diffusion bottlenecks.
Luca Binci +3 more
wiley +1 more source
Solution Synthesis of Actinide Chalcogenide and Oxychalcogenide Nanoparticles
Angewandte Chemie, EarlyView.We report the synthesis of UOS, UOSe, and US2 nanoparticles under colloidal conditions. The magnetic properties were measured of all three materials and compared to prior studies of UO2 nanoparticles. Nanoparticle phases were determined using powder diffraction, and size by transmission electron microscopy.
Cheyenne Orozco +7 more
wiley +2 more sources
Doped alkaline earth (nitride) hydrides
, 2009 The work in this thesis relates to the preparation and structural and electrical characterisation of calcium and strontium hydrides, imides and nitride hydrides.
Verbraeken, Maarten Christiaan
core
Tracking Dynamic Sulfur Electrochemistry by Operando Techniques in Alkali Metal‐Sulfur Batteries
Advanced Energy Materials, EarlyView.Dynamic sulfur electrochemistry in alkali metal‐sulfur batteries is tracked through operando spectroscopy, scattering, imaging, and modelling. This Review connects sulfur reaction pathways, polysulfide transport, electrolyte/interphase evolution, anode chemistry, and quantitative mechanistic analysis across Li‐S, Na‐S, and K‐S batteries, providing ...
Fangli Zhang +3 more
wiley +1 more source
Fundamental magnetic properties of Greigite (Fe3S4)
, 2009 Over the last twenty years, greigite (Fe3S4), an authigenic magnetic iron sulphide mineral, has been increasingly identified in sulphate-reducing marine and lacustrine sedimentary systems.
Chang, Liao
core
Advanced Intelligent Discovery, EarlyView.The authors evaluated six machine‐learned interatomic potentials for simulating threshold displacement energies and tritium diffusion in LiAlO2 essential for tritium production. Trained on the same density functional theory data and benchmarked against traditional models for accuracy, stability, displacement energies, and cost, Moment Tensor Potential ...
Ankit Roy +8 more
wiley +1 more source