A data-guided approach for the evaluation of zeolites for hydrogen storage with the aid of molecular simulations.

Context: This study employs a data-guided approach to evaluate zeolites for hydrogen storage, utilizing molecular simulations. The development of efficient and practical hydrogen storage materials is crucial for advancing clean energy technologies. Zeolites have shown promise as potential candidates due to their unique porous structure and tunable properties.

Anisotropic Photophysical Properties of Highly Aligned Crystalline Structures of a Bulky Substituted Poly(thiophene).

The photophysical properties of a phenyl-substituted poly(thiophene), poly(3-(2,5-dioctylphenyl)thiophene) (PDOPT), were studied as a function of polarization and degree of orientation of the crystalline structure. Under well-chosen controlled conditions, large-sized spherulitic crystals of PDOPT were successfully prepared from the melt. From polarized optical microscopy and X-ray diffraction, the molecular orientation of PDOPT within the spherulite was determined, indicating that the fastest growth direction of the spherulite was the -axis.