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Monte Carlo (MC) simulations are commonly used to obtain adsorption properties of gas molecules inside porous materials. In this work, we discuss various optimization strategies that lead to faster MC simulations with CO 2 gas molecules inside host zeolite ...
Porous polymer networks (PPNs) are a class of porous materials of particular interest in a variety of energy-related applications because of their stability, high surface areas, and gas uptake capacities. Computationally derived structures for five recentl ...
The development of nanostructured materials with predictable and controllable connectivity and functionalities has sparked a multitude of research directions. We have been studying emerging metal-org. framework (MOFs) systems aimed at applications that ben ...
Several techniques for fabricating functionalized graphene sheet (FGS) electrodes were tested for catalytic performance in dye-sensitized solar cells. By using ethylcellulose as a sacrificial binder, and partially thermolyzing it, we were able to prep. ele ...
Materials exhibiting reversible hydrogen adsorption with high gravimetric and volumetric capacities are sought for use in on-board storage systems of hydrogen fuel cell-powered vehicles. Microporous metal-org. frameworks with high internal surface areas ha ...
CuO have potential applications in various fields, such as gas sensors, solar energy and catalysis. With the aim of trying to obtain CuO with a high specific surface area, an oxalate precipitation route followed by thermal decomposition was studied. Four d ...
Different-sized nanocrystalline-TiO2 particles have been used for the optimization of photovoltaic er effects of dye-sensitized solar cells (DSCs) using an ionic-liquid (IL) electrolyte. Ru dye (Z907) was used for the IL-DSC optimization. The TiO2 nanopart ...
Light scattering, porosity, surface area, and morphology of TiO2 working electrode can affect the power conversion efficiency of dye -sensitized solar cells dramatically. Here mesoporous TiO2 microbeads were tested as working electrode in dye-sensitized so ...
Owing to their high surface areas, tunable pore dimensions, and adjustable surface functionality, metal-org. frameworks (MOFs) can offer advantages for a variety of gas storage and gas sepn. applications. In an effort to reduce the major energy requirement ...
Sulphur poisoning of nickel-based solid oxide fuel cell (SOFC) anode catalysts is a well-documented shortcoming, but not yet fully understood. Here, a novel experiment is demonstrated to obtain spectroscopic information at operando conditions, in particula ...
