Exploring the Heat of Water Intrusion into a Metal-Organic Framework by Experiment and Simulation.

Wetting of a solid by a liquid is relevant for a broad range of natural and technological processes. This process is complex and involves the generation of heat, which is still poorly understood especially in nanoconfined systems. In this article, scanning transitiometry was used to measure and evaluate the pressure-driven heat of intrusion of water into solid ZIF-8 powder within the temperature range of 278.15-343.15 K. The conditions examined included the presence and absence of atmospheric gases, basic pH conditions, solid sample origins, and temperature. Simultaneously with these experiments, molecular dynamics simulations were conducted to elucidate the changing behavior of water as it enters into ZIF-8. The results are rationalized within a temperature-dependent thermodynamic cycle. This cycle describes the temperature-dependent process of ZIF-8 filling, heating, emptying, and cooling with respect to the change of internal energy of the cycle from the calculated change in the specific heat capacity of the system. At 298 K the experimental heat of intrusion per gram of ZIF-8 was found to be -10.8 ± 0.8 J·g-1. It increased by 19.2 J·g-1 with rising temperature to 343 K which is in a reasonable match with molecular dynamic simulations that predicted 16.1 J·g-1 rise. From these combined experiments, the role of confined water in heat of intrusion of ZIF-8 is further clarified.

Monodentate versus Bidentate Anchoring Groups in Self-Assembling Molecules (SAMs) for Robust p-i-n Perovskite Solar Cells.

Current improvement in perovskite solar cells (PSCs) has been achieved by interface engineering and fine-tuning of charge-selective contacts. In this work, we report three novel molecules that can form self-assembled layers (SAMs) as an alternative to the most commonly used p-type contact material, PTAA. Two of these molecules have bidentate anchoring groups (MC-54 and MC-55), while the last one is monodentate (MC-45). Besides the PTAA comparison, we also compared those two types of molecules and their effect on the solar cell's performance. Devices fabricated with MC-54 and MC-55 showed a remarkable field factor (about 80%) and a better current density, leading to higher efficient solar cells in comparison to MC-45 and PTAA. Moreover, mono- and bidentate present higher stability and reproducibility in comparison to PTAA.

From Biological Source to Energy Harvesting Device: Surface Protective Ionic Liquid Coatings for Electrical Performance Enhancement of Wood-Based Electronics.

This study explores task-specific ionic liquids (TSILs) in smart floor systems, highlighting their strong electrical rectification abilities and previously established wood preservative properties. Two types of TSILs, featuring a "sweet" anion and a terpene-based cation, were used to treat selected wood samples, allowing for a comparison of their physical and electrical performance with untreated and commercially treated counterparts. Drop shape analysis and scanning electron microscopy were employed to evaluate the surface treatment before and after coating. Near-IR was used to confirm the presence of a surface modifier, and thermogravimetric analysis (TGA) was utilized to assess the thermal features of the treated samples. The different surface treatments resulted in varied triboelectric nanogenerator (TENG) parameters, with the molecular structure and size of the side chains being the key determining factors. The best results were achieved with TSILs, with the instantaneous voltage increasing by approximately five times and the highest voltage reaching 300 V under enhanced loading. This work provides fresh insights into the potential application spectrum of TSILs and opens up new avenues for directly utilizing tested ionic compounds in construction systems.

One Material-Opposite Triboelectrification: Molecular Engineering Regulated Triboelectrification on Silica Surface to Enhance TENG Efficiency.

Molecular engineering is a unique methodology to take advantage of the electrochemical characteristics of materials that are used in energy-harvesting devices. Particularly in triboelectric nanogenerator (TENG) studies, molecular grafting on dielectric metal oxide surfaces can be regarded as a feasible way to alter the surface charge density that directly affects the charge potential of triboelectric layers. Herein, we develop a feasible methodology to synthesize organic-inorganic hybrid structures with tunable triboelectric features. Different types of self-assembled monolayers (SAMs) with electron-donating and withdrawing groups have been used to modify metal oxide (MO) surfaces and to modify their charge density on the surface. All the synthetic routes for hybrid material production have been clearly shown and the formation of covalent bonds on the MO's surface has been confirmed by XPS. The obtained hybrid structures were applied as dopants to distinct polymer matrices with various ratios and fiberization processes were carried out to the prepare opposite triboelectric layers. The formation of the fibers was analyzed by SEM, while their surface morphology and physicochemical features have been measured by AFM and a drop shape analyzer. The triboelectric charge potential of each layer after doping and their contribution to the TENG device's parameters have been investigated. For each triboelectric layer, the best-performing tribopositive and tribonegative material combination was separately determined and then these opposite layers were used to fabricate TENG with the highest efficiency. A comparison of the device parameters with the reference indicated that the best tribopositive material gave rise to a 40% increase in the output voltage and produced 231 V, whereas the best tribonegative one led to a 33.3% rise in voltage and generated 220 V. In addition, the best device collected ~83% more charge than the reference device and came up with 250 V that corresponds to 51.5% performance enhancement. This approach paved the way by addressing the issue of how molecular engineering can be used to manipulate the triboelectric features of the same materials.

Toxic gas removal with kaolinite, metakaolinite, radiolarite, and diatomite.

In this study, some clays and dead microorganisms were compared in terms of their adsorption ability against special toxic gases. To this end, an experimental investigation was conducted to explore the adsorption kinetics of kaolinite, metakaolinite, radiolarite, and diatomite to ammonia (NH3), ethylene (C2H4), and carbon dioxide (CO2). Numerous analyses, such as x-ray fluorescence (XRF), x-ray diffraction (XRD), thermo-gravimetric analysis (TGA), scanning electron microscopy (SEM), and particle size distribution, have been performed for mineralogical and structural characterization of studied materials. Also, adsorption characteristics were investigated with the help of an ultra-precision scale and computer-controlled multi-gas control system. Since ammonia has the highest dipole moment among all studied gases, its removal efficiency was found as the highest in all materials. Regarding clay substances, metakaolinite indicated a lower response than kaolinite due to phase transformation. But, considering the microorganisms, diatomite toxic gas uptake is at least five times better than examined clays while the gas uptake behavior of radiolarite is analog to metakaolinite. Moreover, the adsorption behaviors of proposed materials are clarified with Langmuir isotherms, The results could facilitate improvements in applying microorganisms to the toxic gas environment as a natural adsorbent material.