4 papers · ranked by Valyu relevance
Xiaoyu Dai, Nivedita Kulkarni, James B. Robinson, Dan J.L. Brett + 2 more
Traditionally, 1D volume-averaged continuum approaches are used to model Li-S battery performance at varying C-rates. For the first time, we present a working three-dimensional electrochemical model of a Li-S battery based on real electrode microstructure. In this study we evaluate the gaps between a volume-averaged 1D…
Huidong Dai, Colin Gallagher, Seong-Min Bak, Luisa Gomes + 7 more
Lithium-sulfur (Li-S) batteries stand as promising candidates for next-generation energy storage systems, offering high specific capacity and cost-effectiveness. However, challenges persist due to the sluggish kinetics of polysulfides conversion and migration. Our study, employing operando X-ray absorption spectroscopy…
Authors not listed
Solvent-accessible surface area (SASA) is a central quantity in computational biochemistry, structural biology, and molecular modeling, with applications ranging from protein folding to ligand binding. Widely used approaches such as Shrake-Rupley, Lee-Richards, and LCPO estimate SASA through geometric sampling or…
Lisa Price, Zoe Jones, Antony Nearchou, Gavin Stenning + 2 more
Zeolites with the LTL framework topology are attractive materials for use in optoelectronics, gas adsorption and as chemical reactors. This is due to their unique, one-dimensional (1D) channel systems which are large enough to act as hosts for organic dye molecules and other guest materials. Here, we use…