Computational and Machine Learning Methods for CO Capture Using Metal-Organic Frameworks.

Machine learning (ML) using data sets of atomic and molecular force fields (FFs) has made significant progress and provided benefits in the fields of chemistry and material science. This work examines the interactions between chemistry and materials computational science at the atomic and molecular scales for metal-organic framework (MOF) adsorbent development toward carbon dioxide (CO) capture. Herein, a connection will be drawn between atomic forces predicted by ML algorithms and the structures of MOFs for CO adsorption.

Nano-enabled smart and functional materials toward human well-being and sustainable developments.

Fabrication and operation on increasingly smaller dimensions have been highly integrated with the development of smart and functional materials, which are key to many technological innovations to meet economic and societal needs. Along with researchers worldwide, the Waterloo Institute for Nanotechnology (WIN) has long realized the synergetic interplays between nanotechnology and functional materials and designated 'Smart & Functional Materials' as one of its four major research themes. Thus far, WIN researchers have utilized the properties of smart polymers, nanoparticles, and nanocomposites to develop active materials, membranes, films, adhesives, coatings, and devices with novel and improved properties and capabilities.

Liquid-templated graphene aerogel electromagnetic traps.

For decades, the inherently reflective nature of metallic electromagnetic (EM) shields and their induced secondary EM pollution have posed significant challenges for sensitive electronics. While numerous efforts have been made to develop superior EM shielding systems, the issue of reflection dominancy in metallic substrates remains unresolved. Herein, we addressed this long-lasting obstacle by pairing metallic shields with ultra-lightweight (density of 3.

Functional Janus structured liquids and aerogels.

Janus structures have unique properties due to their distinct functionalities on opposing faces, but have yet to be realized with flowing liquids. We demonstrate such Janus liquids with a customizable distribution of nanoparticles (NPs) throughout their structures by joining two aqueous streams of NP dispersions in an apolar liquid. Using this anisotropic integration platform, different magnetic, conductive, or non-responsive NPs can be spatially confined to opposite sides of the original interface using magnetic graphene oxide (mGO)/GO, TiCT/GO, or GO suspensions.

Surfactant-Mediated Highly Conductive Cellulosic Inks for High-Resolution 3D Printing of Robust and Structured Electromagnetic Interference Shielding Aerogels.

Technological fusion of emerging three-dimensional (3D) printing of aerogels with gel processing enables the fabrication of lightweight and functional materials for diverse applications. However, 3D-printed constructs via direct ink writing for fabricating electrically conductive structured biobased aerogels suffer several limitations, including poor electrical conductivity, inferior mechanical strength, and low printing resolution. This work addresses these limitations via molecular engineering of conductive hydrogels.

Liquid-Templating Aerogels.

Modern materials science has witnessed the era of advanced fabrication methods to engineer functionality from the nano- to macroscales. Versatile fabrication and additive manufacturing methods are developed, but the ability to design a material for a given application is still limited. Here, a novel strategy that enables target-oriented manufacturing of ultra-lightweight aerogels with on-demand characteristics is introduced.

Chitosan-based emulgel and xerogel film containing Thymus pubescens essential oil as a potential wound dressing.

Controlling the wound exudates accompanied by microbial wound infections has still remained as one the most challenging clinical issues. Herein, a chitosan/gelatin/polyvinyl alcohol xerogel film containing Thymus pubescens essential oil is fabricated for antimicrobial wound dressing application. The chemical and physical characteristics of the devised formulation is characterized by Fourier transform infrared spectroscopy, scanning electron microscopy, atomic force microscope, and tensile tests.

Encapsulation of Zataria multiflora essential oil in polyvinyl alcohol/chitosan/gelatin thermo-responsive hydrogel: Synthesis, physico-chemical properties, and biological investigations.

Zataria multiflora essential oil is a natural volatile plant product whose therapeutic applications require a delivery platform. Biomaterial-based hydrogels have been extensively used in biomedical applications, and they are promising platforms to encapsulate essential oils. Among different hydrogels, intelligent hydrogels have recently attracted many interests because of their response to environmental stimuli such as temperature.

Direct milling: Efficient, facile, and green method for processing fibrillated cellulose/polymeric nanocomposites with boosted thermomechanical and rheological performance.

Bringing biobased nanomaterials into polymer manufacturing is essential to enhance polymers' properties and address the challenges posed by plastic waste. Using polymers such as polyamide 6 (PA6) in advanced industries, e.g.

Super-Macroporous Lightweight Materials Templated from Bicontinuous Intra-Phase Jammed Emulsion Gels Based on Nanochitin.

Non-equilibrium multiphase systems are formed by mixing two immiscible nanoparticle dispersions, leading to bicontinuous emulsions that template cryogels with interconnected, tortuous channels. Herein, a renewable, rod-like biocolloid (chitin nanocrystals, ChNC) is used to kinetically arrest bicontinuous morphologies. Specifically, it is found that ChNC stabilizes intra-phase jammed bicontinuous systems at an ultra-low particle concentration (as low as 0.

Multi-Stimuli Dually-Responsive Intelligent Woven Structures with Local Programmability for Biomimetic Applications.

This work focuses on multi-stimuli-responsive materials with distinctive abilities, that is, color-changing and shape-memory. Using metallic composite yarns and polymeric/thermochromic microcapsule composite fibers, processed via a melt-spinning technique, an electrothermally multi-responsive fabric is woven. The resulting smart-fabric transfers from a predefined structure to an original shape while changing color upon heating or applying an electric field, making it appealing for advanced applications.

Mapping 3D Printability of Ionically Cross-Linked Cellulose Nanocrystal Inks: Architecting from Nano- to Macroscale Structures.

Engineering the rheological properties of colloidal inks is one of the main challenges in achieving high-fidelity 3D printing. Herein, we provide a comprehensive study on the rheological behavior of inks based on cellulose nanocrystals (CNCs) in the presence of given salts to enable high-quality 3D printing. The rheological properties of the CNC suspensions are tailored by considering the nature of the electrolyte (i.

A solution-processable and highly flexible conductor of a fluoroelastomer FKM and carbon nanotubes with tuned electrical conductivity and mechanical performance.

The use of fluoroelastomer nanocomposites for flexible electronics is increasing due to their high deformability and recoverability. Often, a high amount of conductive nanofillers and crosslinking agents is required to improve their mechanical performance, which unfavorably affects the electrical percolation threshold and conductivity due to dispersion issues. Herein, we developed a unique solution mixing (SM) technique by a fine-tuned formulation to obtain well-dispersed carbon nanotubes (CNTs) in fluoroelastomer FKM for both low and high CNT concentrations (0.

Fumed Silica-Based Suspensions for Shear Thickening Applications: A Full-Scale Rheological Study.

Understanding shear thickening fluids (STFs) is critically important in a broad spectrum of fields ranging from biology to military. STFs are referred to the suspension of solid particles in an inert carrier liquid. Customizing the thickening behavior is vital for obtaining desired properties.

Structured Ultra-Flyweight Aerogels by Interfacial Complexation: Self-Assembly Enabling Multiscale Designs.

The rapid co-assembly of graphene oxide (GO) nanosheets and a surfactant at the oil/water (O/W) interface is harnessed to develop a new class of soft materials comprising continuous, multilayer, interpenetrated, and tubular structures. The process uses a microfluidic approach that enables interfacial complexation of two-phase systems, herein, termed as "liquid streaming" (LS). LS is demonstrated as a general method to design multifunctional soft materials of specific hierarchical order and morphology, conveniently controlled by the nature of the oil phase and extrusion's injection pressure, print-head speed, and nozzle diameter.

A Simple Approach to Control the Physical and Chemical Features of Custom-Synthesized N-Doped Carbon Nanotubes and the Extent of Their Network Formation in Polymers: The Importance of Catalyst to Substrate Ratio.

This study intends to reveal the significance of the catalyst to substrate ratio (C/S) on the structural and electrical features of the carbon nanotubes and their polymeric nanocomposites. Here, nitrogen-doped carbon nanotube (N-MWNT) was synthesized via a chemical vapor deposition (CVD) method using three ratios (by weight) of iron (Fe) catalyst to aluminum oxide (AlO) substrate, i.e.

Synthesis, Applications, and Prospects of Graphene Quantum Dots: A Comprehensive Review.

Graphene quantum dot (GQD) is one of the youngest superstars of the carbon family. Since its emergence in 2008, GQD has attracted a great deal of attention due to its unique optoelectrical properties. Non-zero bandgap, the ability to accommodate functional groups and dopants, excellent dispersibility, highly tunable properties, and biocompatibility are among the most important characteristics of GQDs.

Waste to Value-Added Product: Developing Electrically Conductive Nanocomposites Using a Non-Recyclable Plastic Waste Containing Vulcanized Rubber.

This study intends to show the potential application of a non-recyclable plastic waste towards the development of electrically conductive nanocomposites. Herein, the conductive nanofiller and binding matrix are carbon nanotubes (CNT) and polystyrene (PS), respectively, and the waste material is a plastic foam consisting of mainly vulcanized nitrile butadiene rubber and polyvinyl chloride (PVC). Two nanocomposite systems, i.

Morphology Evolution, Molecular Simulation, Electrical Properties, and Rheology of Carbon Nanotube/Polypropylene/Polystyrene Blend Nanocomposites: Effect of Molecular Interaction between Styrene-Butadiene Block Copolymer and Carbon Nanotube.

This work studied the impact of three types of styrene-butadiene (SB and SBS) block copolymers on the morphology, electrical, and rheological properties of immiscible blends of polypropylene:polystyrene (PP:PS)/multi-walled carbon nanotubes (MWCNT) with a fixed blend ratio of 70:30 vol.%. The addition of block copolymers to PP:PS/MWCNT blend nanocomposites produced a decrease in the droplet size.

Role of temperature on bio-printability of gelatin methacryloyl bioink in two-step cross-linking strategy for tissue engineering applications.

Additive manufacturing has shown promising results in reconstructing three-dimensional (3D) living tissues for various applications, including tissue engineering, regenerative medicine, drug discovery, and high-throughput drug screening. In extrusion-based bioprinters, stable formation of filaments and high-fidelity deposition of bioinks are the primary challenges in fabrication of physiologically relevant tissue constructs. Among various bioinks, gelatin methacryloyl (GelMA) is known as a photocurable and physicochemically tunable hydrogel with a demonstrated biocompatibility and tunable biodegradation properties.

Intra-Cycle Elastic Nonlinearity of Nitrogen-Doped Carbon Nanotube/Polymer Nanocomposites under Medium Amplitude Oscillatory Shear (MAOS) Flow.

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Polymeric-nanofluids stabilized emulsions: Interfacial versus bulk rheology.

Hypothesis: The properties of oil-in-water emulsions are influenced by the rheology of the aqueous phase (continuous phase) and the rheology of the oil-water interfaces. The bulk and interfacial rheological parameters can be tuned by incorporating nanoparticles (NPs) featuring different surface chemistries and polymers with different chemical or physical structures. Therefore, NPs and polymers can be used to formulate emulsions with different properties.