An accurate and efficient framework for modelling the surface chemistry of ionic materials
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DOI: 10.1038/s41557-025-01884-y
Abstract: Quantum-mechanical simulations can offer atomic-level insights into chemical processes on surfaces that are crucial to advancing applications in heterogeneous catalysis, energy storage and greenhouse gas sequestration. Unfortunately, achieving the accuracy needed for reliable predictions has… read more here.
Keywords: chemistry; framework; ionic materials; correlated wavefunction ... See more keywords
Advances in Organic Ionic Materials Based on Ionic Liquids and Polymers
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DOI: 10.1246/bcsj.20210281
Abstract: Ionics has emerged as an important scientific area for realizing the key materials necessary for the development of advanced electrochemical devices that would support a sustainable society. In thi... read more here.
Keywords: materials based; advances organic; organic ionic; ionic materials ... See more keywords