jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Marco Hepp | Katharina Derr | Benjamin Butz | Huize Wang | Pablo Jimenez-Calvo | Volker Strauss
Source: ECS Meeting Abstracts (article, 2022-07-07)
Field: Materials Science — Materials Chemistry

Flexible Laser-Patterned Carbon Coatings for Sensing and Energy Applications Fabricating electronic devices from natural, renewable resources has been a common goal in engineering and materials science for many years. In this regard, carbon-based coatings are of significance due to high availability of the raw materials and their environmental degradability. Carbonized materials and composites thereof have been proven as promising candidates for a wide range of future applications in flexible electronics, optoelectronics, energy storage or catalytic systems [1]. On the industrial scale, however, their application is inhibited by tedious and expensive preparation processes and a lack of control over the processing and material parameters. A promising tool to tackle that challenge is carbon laser-pattering (CLaP) allowing for the defined and site-selective synthesis of functional carbon-based materials for flexible on-chip applications [2]. Versatile inks, based on naturally occurring (molecular) starting materials are used to produce films, which are carbonized with a CO2-laser to obtain functional patterns of conductive porous carbon networks [3]. By chemical and physical fine-tuning of the laser patterned carbons (LP-C), we developed high-performance flexible resistive chemical and mechanical sensors. Their properties make them applicable in many fields e.g., robotics, bionics and even health monitoring. In this contribution, we present both, the material’s synthesis and tailored properties as well as in-depth microscopic and spectroscopic cross-sectional analyses of such coatings by advanced transmission electron microscopy, which provide unprecedented insights into the microstructure and local chemistry/bonding of laser-patterned carbon [4]. In that regard, we discuss the challenging cross-sectional preparation of such porous and sensitive structures by advanced ultramicrotomy. The gained insights in structure formation and local functionality pave the way for the utilization of alternative fast, large-scale carbonization methods such as rapid thermal annealing. [1] D. Jariwala, V. K. Sangwan, L. J. Lauhon, T. J. Marks, M. C. Hersam, Chem. Soc. Rev. 2013, 42, 2824–2860. [2] R. Ye, D. K. James, J. M. Tour, Adv. Mater. 2019, 31, 1803621. [3] S. Delacroix, H. Wang, T. Heil, V. Strauss, Adv. Electron. Mater. 2020, 6, 2000463. [4] M. Hepp, H. Wang, K. Derr, S. Delacroix, S. Ronneberger, F. Loeffler, B. Butz, V. Strauss, NPJ Flex. Electron. 2021, accepted for publication Materials science ; Nanotechnology ; Carbonization ; Electronics ; Carbon fibers ; Coating ; Composite material ; Scanning electron microscope ; Electrical engineering Diamond and Carbon-based Materials Research ; Supercapacitor Materials and Fabrication ; Catalytic Processes in Materials Science
Authors: Narges Johari | Azin Khodaei | Alí Samadikuchaksaraei | Rui L. Reis | Subhas C. Kundu | Lorenzo Moroni
Source: SSRN Electronic Journal (article, 2022-01-01)
Field: Materials Science — Biomaterials

Ancient Fibrous Materials from Silkworm and Spider Silks: Biomechanical Patterns Spider ; Spider silk ; Polymer science ; SILK ; Materials science ; Biology ; Composite material ; Zoology Silk-based biomaterials and applications ; Collagen: Extraction and Characterization ; Surgical Sutures and Adhesives
Authors: Zijun Bie | Yang Chen
Source: SSRN Electronic Journal (article, 2022-01-01)
Field: Chemistry — Spectroscopy

In-Situ Digestion Assisted Multi-Template Imprinted Nanoparticles for Efficient Analysis of Protein Phosphorylation In situ ; Digestion (alchemy) ; Nanoparticle ; Phosphorylation ; Chemistry ; Nanotechnology ; Materials science ; Biochemistry ; Chromatography ; Organic chemistry Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Analytical chemistry methods development
Authors: Zijun Bie | Yang Chen
Source: SSRN Electronic Journal (article, 2022-01-01)
Field: Chemistry — Analytical Chemistry

In-Situ Digestion Assisted Multi-Template Imprinted Nanoparticles for Efficient Analysis of Protein Phosphorylation In situ ; Digestion (alchemy) ; Nanoparticle ; Phosphorylation ; Chemistry ; Nanotechnology ; Materials science ; Chromatography ; Biochemistry ; Organic chemistry Analytical chemistry methods development ; Mass Spectrometry Techniques and Applications ; Amino Acid Enzymes and Metabolism
Authors: Ismael Kithinji Kinoti | C.M. M'thiruaine | Josheph Mwiti Marangu
Source: African Journal of Science Technology and Social Sciences (article, 2022-09-26)
Field: Chemistry — Inorganic Chemistry

Use of zeolites in wastewater remediation Huge amounts of wastewater in low and lower-middle-income countries is released into the environment in untreated forms due to an increase in anthropogenic activities and disposal in water bodies. Pollution in water ecosystems results in water scarcity and crisis if effective and sustainable water treatment technologies are not adopted. Due to their abundance, cost-effective synthesis, and high contaminant removal capacities, zeolites have been considered as green and effective wastewater remediation materials. This paper presents an overview of the methods of synthesis, types, and efficiencies of zeolitic materials reported in wastewater remediation. In a state-of-the-art review, the latest data, discussion, conclusions, recommendations, and future perspectives are presented. In summary, synthetic zeolites are preferable in wastewater remediation because their structural characteristics can be fine-tuned at synthesis. In addition, synthetic zeolites can be tailored to remove specific contaminants based on ionic size, charge or type. The most common method of zeolite synthesis that has been reported is hydrothermal synthesis, which simulates the natural conditions of formation of zeolites. It is however not environmentally friendly due to large quantities of solvent-based byproducts. Recent methods utilize microwave radiation and solid-state synthesis methods to achieve green high-yield zeolites to be utilized in wastewater remediation. These materials are applicable in the removal of heavy metals, organic pollutants, and dyes, among others. The removal of these and other pollutants cost-effectively, sustainably, and efficiently is a great step toward a sustainable blue and green economy. Environmental remediation ; Wastewater ; Environmental science ; Waste management ; Pollutant ; Biochar ; Environmentally friendly ; Pollution ; Sewage treatment ; Environmental pollution ; Environmental engineering ; Contamination ; Chemistry ; Environmental protection ; Engineering Zeolite Catalysis and Synthesis ; Adsorption and biosorption for pollutant removal
Authors: Felipe Souza Oliveira | António Machado | M. S. da Luz | M. S. Torikachvili
Source: SSRN Electronic Journal (article, 2022-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Magnetic Properties of Ba2y1- X Cu X Tao6- Y Solid Solutions Solid solution ; Materials science ; Metallurgy Magnetic and transport properties of perovskites and related materials ; Magnetic Properties of Alloys ; Metallic Glasses and Amorphous Alloys
Authors: Philip Alan Smith
Source: Figshare (article, 2022-11-16)
Field: Chemistry — Inorganic Chemistry

Design, Synthesis, and Characterization of Uranyl and Neptunyl Coordination Complexes &lt;p&gt;This dissertation focuses on exploring the fundamental chemistry of solid-state uranyl and neptunyl coordination complexes to better understand actinyl crystal chemistry and probe the nature of structure directing factors leading to their formation. The goal of this research is to design and synthesize coordination complexes that demonstrate rich chemical and structural diversity of the 5f-elements at a nexus with ionic liquids, protonated amines, and a variety of N-, O- and h&lt;sup&gt;2&lt;/sup&gt;-(N-O) donor ligands. &lt;/p&gt;&lt;p&gt;The principle theme explores the use of functionalized ionic liquids as unconventional solvents that may act as a ligand, charge balance specie, or as an aqueous-less reaction medium. Several classes of ionic liquids were employed to develop coordination compounds and hybrid materials that expand on the topological diversity of solid-state uranyl structures and systematically investigate, through judicious selection of incorporated moieties, the importance and role of various structure directing factors (i.e. steric affects, hydrogen bonding, pH, temperature, etc.)&lt;/p&gt;&lt;p&gt;A second area of research investigates transuranic cyanometallates, and demonstrates marked differences between pentavalent neptunium and hexavalent uranium chemistry. Notably, the work demonstrates important differences relating to redox chemistry and so-called cation-cation interactions prevalent in Np(V) coordination chemistry. Furthermore, the work also demonstrates a novel system for exploring mixed-valent tetracyanoplatinate complexes, with the potential for chemical fine tuning of their magnetic and electronic properties.&lt;/p&gt;&lt;p&gt;A third area of research explores the importance of structural unit charge density matching and hydrogen bonding between an interlayer complex and anionic structural unit in the formation of two-dimensional uranyl sulfate compounds. Here, a literature review and analysis of structural data is used to elucidate aspects of structure directing properties to better inform on and provide clarity in their descriptions within the literature. This work provides a qualitative framework for understanding orientational geometric isomerism, interlayer stacking interactions and interlayer distance dependence for two-dimensional uranyl sulfate compounds incorporating protonated cyclic and alkylamines &lt;i&gt;via&lt;/i&gt; templating effects.&lt;/p&gt; Uranyl ; Chemistry ; Characterization (materials science) ; Coordination complex ; Uranium ; Nanotechnology ; Metal ; Materials science ; Metallurgy ; Organic chemistry Radioactive element chemistry and processing
Authors: Mengru Li | Sung Sakong | Fabiola Domínguez-Flores | Nana Ma | Axel Groß
Source: ChemRxiv (preprint, 2022-12-28)
Field: Materials Science — Materials Chemistry

The role of surface stoichiometry in the activity of doped vanadia-based catalysts for the selective catalytic reduction Mixing dopants into oxide catalysts can improve the catalytic activity, as shown in the dramatic boost of the NH3 selective catalytic reduction (SCR) activity on vanadia catalysts upon doping by tungsten. Thus, the design and optimization of oxide catalysts require a precise understanding of the role of dopants and their influence on catalytic reactions. Here, we employ first-principles calculations to study the influence of selected dopants (Ce, Zr, Nb, Mo, and W) in tungsta-vanadia on the SCR activity in terms of dopant concentration, distribution, and species. We demonstrate how the dopants affect the stoichiometry of the catalyst and thus fine-tune the local electron distribution and polarization in the catalytic layer. In addition, we address the relation between dopant concentration and the population of the active vanadyl configuration on the surface. Finally, we propose the generalized surface stoichiometry of the doped vanadia catalysts as a descriptor for the SCR catalytic activity, which promises to be instrumental in identifying oxide catalysts with improved properties also for other important catalytic reactions. Catalysis ; Dopant ; Stoichiometry ; Inorganic chemistry ; Doping ; Selective catalytic reduction ; Oxide ; Materials science ; Chemistry ; Chemical engineering ; Physical chemistry ; Organic chemistry ; Metallurgy Catalytic Processes in Materials Science ; Ammonia Synthesis and Nitrogen Reduction ; Advanced Photocatalysis Techniques
Authors: Matthew Joseph Polinski
Source: Figshare (article, 2022-09-15)
Field: Chemistry — Inorganic Chemistry

Syntheses, Characterization, and Fundamental Studies of Novel Trivalent Lanthanide and Actinide Borates &lt;p&gt;The use of molten boric acid as a reactive flux in the synthesis of trivalent actinide borates has been explored and developed over the past several years. Throughout these investigations, several unexpected structures and results were obtained. It has been determined that the chemistries of trivalent plutonium, americium, curium, and californium within a borate matrix are completely different. This has lead to the first family of compounds containing the later actinides where the structures are neither isotypic to the lanthanides nor each other.&lt;/p&gt; &lt;p&gt;There are two main objectives of this work. The first is to further examine the basic chemistry and periodic trends between the lanthanide and the actinide elements. This has been achieved by functionalizing the f-element centers within these borates and by fine tuning the experimental conditions, which has led to two distinct families of the f-element borates. The second objective is to better understand the differences in bonding that exist between the two f-element series. This was achieved by Density Functional Theory (DFT) studies that have provided a more detailed examination of the f-elements which, to this point, has been shown to be the same in regards to structure and bonding analyses have often been contradictory. The DFT results also reveal real differences in bonding in the actinide elements. An understanding of these two objectives will aid in the development of structure-property relationships for advanced waste forms for the actinides present in nuclear waste, the environmental impacts of actinide borates, and an improved understanding of bonding in the f-elements to be exploited for chemical separations.&lt;/p&gt; &lt;p&gt;This dissertation is focused on the borate crystal chemistry of plutonium (Chapters 3, 5-7), americium (Chapters 3, 5, 7), curium (Chapters 4, 5, 7), californium (Chapter 11), and the lanthanides (Chapters 5 -10). While there are several advancements of more applied applications gained from this work, the most important academic and fundamental insight is that the chemistries of the later actinides and lanthanides can be vastly different and care must be taken when making assumptions about these highly underexplored actinides based on the chemistry of either the lanthanides or other actinides.&lt;/p&gt; Lanthanide ; Actinide ; Boron ; Characterization (materials science) ; Chemistry ; Inorganic chemistry ; Materials science ; Nanotechnology ; Organic chemistry Radioactive element chemistry and processing ; Nuclear materials and radiation effects ; Inorganic Chemistry and Materials
Authors: Wei Wang | Phillip Timmer | Alexander Spriewald Luciano | Yu Wang | Tim Weber | Lorena Glatthaar | Yun Guo | Bernd Smarsly | Herbert Over
Source: ChemRxiv (preprint, 2022-12-27)
Field: Materials Science — Materials Chemistry

Inserted Hydrogen Promotes Oxidation Catalysis of Mixed Ru0.3Ti0.7O2 as Exemplified with Propane Combustion and the HCl Oxidation Reaction The solid solution of a reducible oxide with a (non or) less reducible oxide may open the way to incorporate substantial amounts of hydrogen by the simple exposure to H2 at elevated temperatures, as exemplified by the mixture of RuO2 and TiO2. We are able to incorporate 17.6 mol% hydrogen into the mixed oxide Ru0.3Ti0.7O2 by H2 exposure at 250 °C, while this is not possible for pure RuO2 and rutile TiO2 that is either reduced to metallic Ru or does not allow for hydrogen absorption, respectively. Hydrogenated Ru0.3Ti0.7O2 may be utilized in hydrogenation catalysis. In this study, however, we demonstrate that hydrogen-incorporated Ru0.3Ti0.7O2 improves substantially the catalytic performance in oxidation reactions such as the propane combustion and HCl oxidation reaction. Hydrogen induced lattice strain in Ru0.3Ti0.7O2 accompanied with altered electronic properties is likely to be the reason for the observed enhanced catalytic activity. Hydrogen treatment can be performed in the reactor, thus providing an additional parameter to fine-tune in situ the catalytic performance of a mixed oxide catalyst. Catalysis ; Oxide ; Propane ; Hydrogen ; Inorganic chemistry ; Combustion ; Mixed oxide ; Chemistry ; Materials science ; Organic chemistry Catalytic Processes in Materials Science ; Electrocatalysts for Energy Conversion ; Catalysis and Oxidation Reactions
Authors: Rajul Ranjan Choudhury | R. Chitra | V. B. Jayakrishnan | Lata Panicker
Source: Pramana (article, 2022-02-03)
Field: Materials Science — Materials Chemistry

Effect of fine-tuning of intermolecular interactions on crystallisation outcome: A case study of polymorphs of 4-hydroxybenzaldehyde Crystallite ; Intermolecular force ; Metastability ; Polarity (international relations) ; Crystallization ; Molecule ; Solvent ; Materials science ; Solvent polarity ; Chemical physics ; Crystallography ; Chemistry ; Organic chemistry Crystallization and Solubility Studies ; Crystallography and molecular interactions ; Dyeing and Modifying Textile Fibers
Authors: Saba Baraghani | Zahra Barani | Yassamin Ghafouri | Amirmahdi Mohammadzadeh | Sriharsha Sudhindra | Tina T. Salguero | Kargar, Fariborz | Alexander A. Balandin
Source: arXiv (Cornell University) (preprint, 2022-01-15)
Field: Materials Science — Materials Chemistry

Charge-Density-Wave Devices Printed with the Ink of Chemically Exfoliated 1T-TaS$_2$ Fillers We report on the preparation of inks containing fillers derived from quasi-two-dimensional charge-density-wave materials, their application for inkjet printing, and the evaluation of their electronic properties in printed thin film form. The inks were prepared by liquid-phase exfoliation of CVT-grown 1T-TaS$_2$ crystals to produce fillers with nm-scale thickness and um-scale lateral dimensions. Exfoliated 1T-TaS$_2$ was dispersed in a mixture of isopropyl alcohol and ethylene glycol to allow fine-tuning of their thermo-physical properties for inkjet printing. The temperature-dependent electrical and current fluctuation measurements of printed thin films demonstrated that the charge-density-wave properties of 1T-TaS$_2$ are preserved after processing. The functionality of the printed thin-film devices can be defined by the nearly-commensurate to commensurate charge-density-wave phase transition of individual exfoliated 1T-TaS$_2$ fillers rather than by electron-hopping transport between them. These results provide pathways for the development of printed electronics with diverse functionality achieved by the incorporation of quasi-two-dimensional van der Waals quantum materials. Materials science ; Exfoliation joint ; Printed electronics ; Thin film ; van der Waals force ; Inkwell ; Nanotechnology ; Composite material ; Optoelectronics ; Charge density wave ; Phase (matter) ; Flexible electronics ; Condensed matter physics ; Chemistry ; Superconductivity 2D Materials and Applications ; Chemical and Physical Properties of Materials ; Electronic and Structural Properties of Oxides
Authors: Adelson de O. Dias | Alexandra G. Santos | Fábio G. Delolo | Jesus A. Avendaño‐Villarreal | Eduardo N. dos Santos | Elena V. Gusevskaya
Source: ChemCatChem (article, 2022-11-30)
Field: Chemistry — Inorganic Chemistry

Hydroaminomethylation of Natural Allylic and Homoallylic Alcohols: A Ligand‐Controlled Route to New Amines Abstract Hydroaminomethylation (HAM) is a tandem catalytic process that allows accessing amines from olefin scaffolds and is perfectly aligned with green chemistry precepts. In this work, HAM was applied to the natural hydroxyolefins: isoprenol, linalool, nerolidol, and isopulegol. Employing 4‐methylpiperidine, morpholine, and 1,2,3,4‐tetrahydroisoquinoline as counterparts, several new, structurally complex amines were prepared from biorenewable, low‐cost substrates, opening a path to exploit this structure diversity in biological activity. By the appropriate choice of rhodium‐based catalytic systems, as well as the reaction conditions, the necessary fine tuning for each counterpart was achieved. The unpromoted rhodium system leaded mostly to aminoalcohols, while certain phosphorus(III)‐promoted rhodium systems afforded amines containing a tetrahydropyran or a tetrahydrofuran moiety in moderate to high yields. Chemistry ; Rhodium ; Allylic rearrangement ; Tetrahydrofuran ; Moiety ; Catalysis ; Ligand (biochemistry) ; Organic chemistry ; Olefin fiber ; Morpholine ; Tetrahydropyran ; Combinatorial chemistry Asymmetric Hydrogenation and Catalysis ; Synthetic Organic Chemistry Methods ; Chemical Synthesis and Analysis
Authors: Daisuke Kino | Yasuaki Tokudome | Kenji Okada | Masahide Takahashi
Source: Journal of the Japan Society of Powder and Powder Metallurgy (article, 2022-04-14)
Field: Materials Science — Materials Chemistry

Size Tuning of Colloidal Co-Al LDH Nanoparticles by Dialysis Treatment Size tuning of colloidal Co-Al layered double hydroxide (LDH) nanoparticles has been demonstrated by a dialysis treatment. Starting from colloidal dispersion of LDH nanoparticles with diameter of ~10 nm, dialysis treatment under an ambient condition was found to allow for fine tuning of the particle in the size of 10-20 nm. With an increased time of dialysis treatment, the size of Co-Al LDH nanoparticles increases because of acceleration of dissolution-recrystallization. The colloidal Co-Al LDH nanoparticles exhibit high dispersion stability free from particle aggregation even after the dialysis treatment. Co-Al LDH films oriented on a substrate were successfully prepared by coating the dialyzed crystals with an anisotropic plate-like morphology. Colloid ; Dissolution ; Nanoparticle ; Materials science ; Particle size ; Hydroxide ; Chemical engineering ; Dispersion (optics) ; Coating ; Nanotechnology ; Optics Layered Double Hydroxides Synthesis and Applications ; Magnesium Oxide Properties and Applications ; Microwave Dielectric Ceramics Synthesis
Authors: Vadapalli Chandrasekhar | Bijoy Dey
Source: SSRN Electronic Journal (article, 2022-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Feii Spin Crossover Complexes Containing N4o2 Donor Ligands Spin crossover ; Crossover ; Physics ; Condensed matter physics ; Statistical physics ; Computer science ; Artificial intelligence Magnetism in coordination complexes ; Organometallic Complex Synthesis and Catalysis ; Metal-Catalyzed Oxygenation Mechanisms