A5001669238- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Advanced Battery Materials and Technologies
- Advancements in Battery Materials
- Supramolecular Self-Assembly in Materials
- Climate change and permafrost
- Scientific Research and Discoveries
- Cryospheric studies and observations
- Crystallography and molecular interactions
- Photochromic and Fluorescence Chemistry
- Extraction and Separation Processes
- Luminescence and Fluorescent Materials
- Theoretical and Computational Physics
- Advanced Battery Technologies Research
- Physics of Superconductivity and Magnetism
- High-pressure geophysics and materials
Cardiff University
2018-2022
Abstract The use of a template that bears pre‐programmed receptor sites for selectively accommodating chromophores at given positions is an attractive approach engineering artificial‐light‐harvesting systems. Indulging this line thought, work tackles the creation tailored antenna architectures with yellow, red and blue chromophores, exploiting three dynamic covalent reactions simultaneously, namely disulfide exchange, acyl hydrazone, boronic ester formations. effect various structural...
LiMPO4 (M = Mn, Fe) olivine phosphates are important materials for battery applications due to their stability, safety, and reliable recharge cycle. Despite continuous experimental computational investigations, several aspects of these remain challenging, including conductivity dimensionality how it maps onto Li pathways. In this work, we use a refined version our finite temperature molecular dynamics "shooting" approach, originally designed enhance hopping probability. We perform...
J. Christian Schön opened the discussion of paper by Gregory O. Beran: Concerning multi-tier approach to improving quality computations, where you did a careful analysis different types approximations, it is still very disconcerting that there appears be no inhere
Metashooting, a novel simulation scheme, combines free energy surface reconstruction and detailed elucidation of transformation mechanisms.