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The quest for efficient and economically accessible cleaner methods to develop sustainable carbon-free energy sources induced a keen interest in the production of hydrogen fuel. This can be achieved via the water-splitting process exploiting solar energy but requiring the use of adequate photocatalysts. Covalent triazine-based frameworks (CTFs) are target photocatalysts for water-splitting. Both electronic and structural characteristics of CTFs, optical bandgaps and porosity, are directly relevant for water-splitting. These can be engineered through chemical design. Porosity can be beneficial to water-splitting by providing larger surface area for the catalytic reactions. However, porosity can also affect both charge transport within the photocatalyst and mass transfer of both reactants and products, thus impacting the overall kinetics of the reaction. We focus on the link between chemical design and water (reactants) mass transfer, playing a key role in the water uptake process and the subsequent hydrogen generation. We use neutron spectroscopy to study water mass transfer in two porous CTFs, CTF-CN and CTF-2, that differ in the polarity of their struts. Quasi-elastic neutron scattering (QENS) is used to quantify the amount of bound water and the translational diffusion of water. Inelastic neutron scattering measurements complement QENS and provides insights into the softness of the CTF structures and the changes in librational degrees of freedom of water in CTFs. We show that CTF-CN exhibits smaller surface area and water uptake due to a softer structure than CTF-2. The current study leads to new insights into the structure-dynamics-property relationship of CTF photo-catalysts that pave the road for a better understanding of the guest-host interaction at the basis of water splitting applications.
Hydrogen fuel can contribute as a masterpiece in conceiving a robust carbon-free economic puzzle if cleaner methods to produce hydrogen become technically efficient and economically viable. Organic photocatalytic materials such as conjugated micropor
Perovskite SrTiO3 (STO) is an attractive photocatalyst for solar water splitting, but suffers from a limited photoresponse in the ultraviolet spectral range due to its wide band gap. By means of hybrid density functional theory calculations, we syste
We report the site-specific probing of charge-transfer dynamics in a prototype system for organic photovoltaics (OPV) by picosecond time-resolved X-ray photoelectron spectroscopy. A layered system consisting of approximately two monolayers of C$_{60}
When water molecules are confined to nanoscale spacings, such as in the nanometer size pores of activated carbon fiber (ACF), their freezing point gets suppressed down to very low temperatures ($sim$ 150 K), leading to a metastable liquid state with
Wood, due to its biological origin, has the capacity to interact with water. Sorption/desorption of moisture is accompanied with swelling/shrinkage and softening/hardening of its stiffness. The correct prediction of the behavior of wood components un