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Showing 1 to 20 of 38 for “"catalytic materials"”.
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Electronic band structure variations in photothermal catalytic materials
Novel photothermal catalytic devices based on layered semiconductors have great promise as efficient overall water splitting devices for hydrogen production, which can help make H2 into an economically viable alternative to fossil fuels. The effectiveness of the proposed device is sensitively …
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Accelerating Catalytic Materials Discovery for Sustainable Nitrogen Transformations by Interpretable Machine Learning
… the stringent limitations put on the electrocatalytic activity due to the *N vs *NO3 scaling relations. It is found that the *N binding energy can be tuned while leaving the *NO3 binding energy unaffected by ensuring that the subsurface atom interacts strongly with the *N. Based on this …
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FOULING AND ITS MITIGATION ON HEAT EXCHANGER SURFACES BY ADDITIVES AND CATALYTIC MATERIALS
… method. PWT using zinc and tourmaline as catalytic materials is presented in this research work. Fouling tests were conducted for verification of this PWT method. Artificially-hardened water at 300 mgL-1 was utilized as the fluid medium to form fouling deposits. The hard water flow …
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Spectroscopic and Kinetic Characterization of Catalytic Materials for the Conversion of Biomass-Derived Compounds
<p>As economies look to transition away from petroleum for social, economic, and political reasons, biomass will continue to attract attention as a renewable feedstock for the fuels and chemicals industry. In order to turn biomass into end use fuels and chemicals, the oxygen content must be lowered …
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Novel Earth Abundant Catalytic Materials for Abatement of Atmospheric Methane Sources, and Evaluation of Agricultural Deployment Environments
… air at standard temperatures and pressures. Catalytic performance was tested under conditions designed to mimic those found at two of the primary sources of low-level, anthropogenic emissions: ventilation air methane (VAM) and industrial dairy. Laboratory synthesized catalysts were shown to …
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Advancing Catalysis Theory with Theory-infused Deep Learning
… discovery of novel motifs with desired catalytic properties. The TinNet framework offers a robust platform for transforming ab initio data into physicochemical insights, enabling the design of novel catalytic materials. Its architecture, deeply rooted in the physics of electronic …
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Environmental Applications of Ultrasound
… Mo2C and W2C particles. The activity of these materials was studied for the catalytic hydrodehalogenation of aliphatic and aromatic halocarbons at low temperatures (T = 200--300°C). Both catalysts were selective, active, and stable for all substrates tested. The HDH of substrates bearing …
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Scanning transmission electron microscopy (STEM) and X-ray absorption spectroscopy (XAS) investigations of catalytic systems
… energy production, understanding and improving catalytic materials is essential to further advances in their development and use. The following work discusses the experimental investigation of various supported and unsupported noble metal nanoparticles using, predominantly, X-ray absorption …
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Spectroscopic and Kinetic Studies of Hydrodenitrogenation and Hydrodesulfurization over Supported Nickel Phosphide (Ni₂P)
… It also includes characterization of these catalytic materials using X-ray diffraction (XRD), temperature-programmed reduction (TPR), Fourier transform infrared (FTIR) spectroscopy and X-ray absorbance fine structure (XAFS) spectroscopy. In situ FTIR was employed to study the acidity of …
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En route towards advanced catalyst materials for the electrocatalytic water splitting reaction
… catalysts based on pristine metals and ceramic materials and their application as catalysts for the electrocatalytic water splitting reaction. In order to breathe life into this technology, cost-efficient, stable and efficient catalysts are imploringly desired. In this manner, the preparation of …
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Towards decomposition of phosphonates in water using catalytic membranes: paraquat on silica as a proxy
… but difficult, in a water treatment plant. If materials capable of catalyzing phosphonate decomposition are identified, the combined application of catalytic materials and membranes can lead to the effective treatment of wastewater with phosphonates and ensure subsequent removal of degradation …
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Automated Synthesis Procedure Generation in Heterogeneous Catalysis via Fine-Tuned Language Models
The exploration of catalytic materials and their synthesis routes traditionally demands extensive iterative experimentation and significant time investment. To overcome these constraints, we have developed an advanced extraction workflow integrating language models and multimodal processing …
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Electron transfer in solution : nonadiabatic dynamics and applications to catalysis
… calculations, we are able to gain insight into catalytic design principles. Afterwards, we study nonadiabatic electron transfer in solution. After benchmarking various resummations of a fourth-order perturbation theory expansion of a generalized master equation memory kernel for the spin-boson …
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Exploring Strategies to Break Adsorption-Energy Scaling Relations in Catalytic CO Oxidation
… among binding strengths of adsorbates on various catalytic materials often give rise to volcano-shaped relationships between the catalytic activity and the affinity of critical intermediates to the surface. The optimal catalysts should bind the reactants 'just right', i.e., neither too strong nor …
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Catalysts for H2 production
… of Department of Industrial Chemistry and Materials of University of Bologna and Air Liquide (Centre de Recherche Claude-Delorme, Paris). The aim of the work was focused on the study of new materials, active and stable in the hydrogen production from methane, using either a new process, the …
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Accelerating Catalyst Discovery via Ab Initio Machine Learning
… of interest in the domain of high-throughput materials discovery, which is largely attributed to the fastgrowing development of quantum-chemical methods and learning algorithms. Nevertheless, machine learning for catalysis is still at its initial stage due to our insufficient knowledge of the …
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Metal And Metal Oxide Nanocrystals For Catalysis And Magnetic Applications
… new opportunities in systematic studies of their catalytic activity and magnetic properties. In this work, we focus on exploiting the composition- and crystal structure-dependent properties of monodisperse bimetallic NCs to establish the structure-property relationships of thermal, electro-, and …
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Solar energy conversion via photovoltaics and photocatalysis
… solar hydrogen production requires catalytic materials that have earth-abundant element composition, suitable photoelectrochemical properties, and broad technological applicability. To create this versatile catalytic material, controlling the catalyst's atomic structure is of primary …
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Synthesis and characterization of Fe-containing oxide powders and carbon nanotube-Fe-oxide nanocomposites
… and Fe/Al6Si2O13 powders and to use them as catalytic materials for the synthesis of CNT-Fe-oxyde nanocomposites, and secondly to perform a profound investigation of all the materials by 57Fe Mössbauer spectroscopy and to correlate the results with those obtained by other techniques with the …
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Terahertz Methods for Investigating the Liquid Transport Characteristics in Porous Media
… types of porous media, i.e. pharmaceutical and catalytic powder compacts. The terahertz methods were first used to investigate the liquid uptake and swelling in fast disintegrating tablets (FDTs) that were prepared from powder mixtures of either theophylline or paracetamol as a drug and either …
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