jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Xiaoru Guo
Source: UWM Digital Commons (University of Wisconsin–Milwaukee) (article, 2018-01-01)
Field: Materials Science — Materials Chemistry

Novel Solar Cells Based on Two-Dimensional Nanomaterials and Recycled Lead Components To meet the rapidly growing demand for energy and reduce the use of dwindling fossil fuels, the efficient utilization of renewable energy is a constant pursuit globally. Because solar cells convert vastly available sunlight into electricity, developing high-performance and low-cost solar cells is a top strategy for future energy supply. Dye-sensitized solar cells (DSSCs) and perovskite solar cells (PSCs) are the most promising choices. In the meantime, highly concentrated sulfuric acids from retired lead-acid batteries become an environmental concern, and lead contamination in drinking water raises concerns in general public. This study addresses both above-mentioned problems by using two-dimensional (2D) nanomaterials and recycled lead for solar cell fabrication.\nFirstly, 2D nanomaterials are used to improve the performance of solar cells as a counter electrode in DSSCs and a hole transport material (HTM) in PSCs. MoS2/graphene hybrids are hydrothermally prepared at different temperatures. A phase transition is observed from 150 to 210 °C, and the reaction temperature of 180 °C leads to the best performing 2D nanomaterial hybrids for electrochemical catalysis. Semi-transparent PSCs are explored in smart buildings to simultaneously adapt to indoor lighting conditions and convert part of sunlight into electricity. Furthermore, through crumbling graphene oxide with copper thiocyanate at 650 °C, a new HTM is prepared for PSCs with steady, high performance and a low cost.\nSecondly, the recovery of lead contents from waste acid and contaminated water is studied by using nanocarbon materials. The lead removal in acid is evaluated through adsorption, filtration, and capacitive deionization (CDI). The removal rate is limited, but as-obtained lead wastes are then successfully reformed to produce perovskite precursors. A CDI process through sulfur-treated carbon materials is studied to selectively collect lead contaminants in water. Complete lead recovery and reformation for perovskite precursors is explored to obtain PSCs featuring a low cost and an overall positive environmental impact.\nThis study addresses a full life cycle of solar cell materials to meet sustainable requirements. Taking advantage of outstanding properties of 2D nanomaterials, results from the study will lead to next-generation solar cells featuring enhanced performance, a lower cost, and better environmental sustainability. Lead (geology) ; Component (thermodynamics) ; Nanomaterials ; Environmental science ; Nanotechnology ; Materials science ; Geology ; Physics Quantum Dots Synthesis And Properties
Authors: Andrea Mancini | Valeria Giliberti | Alessandro Alabastri | Eugenio Calandrini | Francesco De Angelis | Denis Garoli | Michele Ortolani
Source: The Journal of Physical Chemistry C (preprint, 2018-05-03)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Thermoplasmonic Effect of Surface-Enhanced Infrared Absorption in Vertical Nanoantenna Arrays Thermoplasmonics is a method for increasing temperature remotely using focused visible or infrared laser beams interacting with plasmonic nanoparticles. Here, local heating induced by mid-infrared quantum cascade laser illumination of vertical gold-coated nanoantenna arrays embedded into polymer layers is investigated by infrared nanospectroscopy and electromagnetic/thermal simulations. Nanoscale thermal hotspot images are obtained by a photothermal scanning probe microscopy technique with laser illumination wavelength tuned at the different plasmonic resonances of the arrays. Spectral analysis indicates that both Joule heating by the metal antennas and surface-enhanced infrared absorption (SEIRA) by the polymer molecules located in the apical hotspots of the antennas are responsible for thermoplasmonic resonances, that is, for strong local temperature increase. At odds with more conventional planar nanoantennas, the vertical antenna structure enables thermal decoupling of the hotspot at the antenna apex from the heat sink constituted by the solid substrate. The temperature increase was evaluated by quantitative comparison of data obtained with the photothermal expansion technique to the results of electromagnetic/thermal simulations. In the case of strong SEIRA by the C═O bond of poly-methylmethacrylate at 1730 cm–1, for focused mid-infrared laser power of about 20 mW, the evaluated order of magnitude of the nanoscale temperature increase is of 10 K. This result indicates that temperature increases of the order of hundreds of K may be attainable with full mid-infrared laser power tuned at specific molecule vibrational fingerprints. Plasmon ; Infrared ; Quantum cascade laser ; Materials science ; Infrared spectroscopy ; Molecular physics ; Absorption (acoustics) ; Laser ; Molecular vibration ; Molecule ; Chemistry ; Analytical Chemistry (journal) ; Optoelectronics ; Optics ; Physics Gold and Silver Nanoparticles Synthesis and Applications ; Plasmonic and Surface Plasmon Research ; Nonlinear Optical Materials Studies
Authors: Mariana Moreira da Silva Alves Barbosa
Source: Open Repository of the University of Porto (University of Porto) (article, 2018-05-02)
Field: Chemistry — Organic Chemistry

CLAMP - CLick chemistry as a tool to create AntiMicrobial Peptide-based materials Click chemistry ; Antimicrobial ; Chemistry ; Peptide ; Antimicrobial peptides ; Computer science ; Nanotechnology ; Combinatorial chemistry ; Biochemistry ; Materials science ; Organic chemistry Click Chemistry and Applications ; Antimicrobial Peptides and Activities ; Advanced Biosensing Techniques and Applications
Authors: Benjamin Hisey
Source: Scholarship@Western (Western University) (article, 2018-01-01)
Field: Chemistry — Organic Chemistry

The Incorporation of Phosphorus into Block Copolymers and Their Self-Assembly The content of this thesis focuses on the incorporation of phosphorus into amphiphilic block copolymers (BCPs) for the realization of novel properties in the solution phase self-assembled materials derived from the BCPs. The incorporation was achieved through either attaching phosphorus to the terminus of already existing BCPs or the synthesis of novel BCPs from prepared or commercially available phosphorus containing monomers. The phosphorus containing polymers exhibited properties dependent on the existence of the phosphorus species in the BCPs. The first example of this is the modification of poly(ethylene oxide)-b-poly(ε-caprolactone) (PEO-b-PCL) copolymers by the attachment of tetraalkyl phosphonium salts with varying alkyl chains to the PEO chain end. The resulting nanoscale assemblies displayed antibacterial activity against Escherichia coli and Staphylococcus aureus. The nano-assemblies were also able to encapsulate and release the hydrophobic drug tetracycline. The second example from this work is the incorporation of phosphorus into the side chains of an amphiphilic polystyrene-b-poly((4-vinylbenzyl)tributylphosphonium) (PS-b-P(P+X-)) BCP. The BCP was used to study the effect the counter-ion (X-) had on the aqueous self-assembly of the material through variation of the anion on the monomer. Anions investigated in the work included chloride, bromide, nitrate and trifluoromethylsulfonate. The work demonstrated that while maintaining the same degree of polymerization the change in the anion prior to self-assembly resulted in a significant difference in the resulting nanoparticles. The third example of the incorporation of phosphorus into a BCP features a poly(4-diphenylphosphino styrene)-b-poly((4-vinylbenzyl)tributylphosphonium chloride). This block copolymer features phosphorus in the P(III) and the P(V) oxidation states. The P(III) block is able to form the core of self-assembled nano-particles and was shown to coordinate Pd, W and Mo. The corona is able to undergo salt metathesis to coordinate AuCl4-. The final work presented in this thesis demonstrates efforts toward the synthesis of functional end-group containing polymers by the inclusion of phosphorus in RAFT agents. The work demonstrates the incorporation of a phosphonium salt onto the end-group of poly(butyl acrylate) polymers, and demonstrates that the presence of the phosphonium salt allows the material to self-assemble in aqueous solution. Copolymer ; Phosphorus ; Block (permutation group theory) ; Chemistry ; Polymer ; Mathematics ; Organic chemistry ; Combinatorics Nanomaterials for catalytic reactions ; Polyoxometalates: Synthesis and Applications ; Zeolite Catalysis and Synthesis
Authors: A.R. Badour | C.J. Arnett-Butscher | Dillip K Mohanty | P.J. Squattrito | Kelly J. Lambright | Kristin Kirschbaum
Source: Acta Crystallographica Section C Structural Chemistry (article, 2018-08-28)
Field: Materials Science — Polymers and Plastics

Models for potential dendritic nitric oxide donors: crystal structures of two 2-nitroanilino precursors and nitric oxide-release behavior of the nitrosated derivatives Two molecular precursors to dendrimeric materials that could serve as slow and sustained NO-releasing therapeutic agents have been synthesized and characterized. N<sup>1</sup>,N<sup>4</sup>-Bis(2-nitrophenyl)butane-1,4-diamine, C<sub>16</sub>H<sub>18</sub>N<sub>4</sub>O<sub>4</sub>, (I), crystallizes in a lattice with equal populations of two molecules of different conformations, both of which possess inversion symmetry through the central C-C bond. One molecule has exclusively anti conformations along the butyl chain, while the other has a gauche conformation of the substituents on the first C-C bond. N<sup>2</sup>,N<sup>2</sup>-Bis[2-(2-nitroanilino)ethyl]-N<sup>1</sup>-(2-nitrophenyl)ethane-1,2-diamine, C<sub>24</sub>H<sub>27</sub>N<sub>7</sub>O<sub>6</sub>, (II), crystallizes with one unique molecule in the asymmetric unit. Neighboring pairs of molecules are linked into dimers via N-H...O amine-nitro hydrogen bonds. The dimers are assembled into layers that stack in an A-B-A-B sequence such that the repeat distance in the stacking direction is over 46 Å. Molecular NO-release agents N<sup>1</sup>,N<sup>4</sup>-bis(2-nitrophenyl)-N<sup>1</sup>,N<sup>4</sup>-dinitrosobutane-1,4-diamine, C<sub>16</sub>H<sub>16</sub>N<sub>6</sub>O<sub>6</sub>, (III), and N<sup>1</sup>-(2-nitrophenyl)-N<sup>2</sup>,N<sup>2</sup>-bis{2-[(2-nitrophenyl)(nitroso)amino]ethyl}-N<sup>1</sup>-nitrosoethane-1,2-diamine, C<sub>24</sub>H<sub>24</sub>N<sub>10</sub>O<sub>9</sub>, (IV), were prepared via treatment of (I) and (II), respectively, with NaNO<sub>2</sub> and acetic acid. The release of NO from solid-phase samples of (III) and (IV) suspended in phosphate buffer was monitored spectroscopically over a period of 21 days. Although (IV) released a greater amount of NO, as expected due to it having three NO moieties for every two in (III), the (IV):(III) ratio of the rate and extent of NO release was significantly less than 1.5:1, suggesting that some combination of electronic, chemical, and/or steric factors may be affecting the release process. Chemistry ; Diamine ; Molecule ; Hydrogen bond ; Stereochemistry ; Amine gas treating ; Crystal structure ; Crystallography ; Medicinal chemistry ; Polymer chemistry ; Organic chemistry Dendrimers and Hyperbranched Polymers ; Metal-Organic Frameworks: Synthesis and Applications ; Nonlinear Optical Materials Research
Authors: Dylan J. Sures | G. P. Nagabhushana | Alexandra Navrotsky | May Nyman
Source: Preprints.org (preprint, 2018-09-26)
Field: Materials Science — Materials Chemistry

Thermochemical Measurements of Alkali Cation Association to Hexatantalate Ion association is an important process in aqueous dissolution, precipitation, and~crystallization of ionic inorganic, organic, and biological materials. Polyoxometalates (POMs) are good model compounds for understanding the complex relationships between lattice energy, ion-pairing in solution, and salt solubility. Here we perform calorimetric measurements to elucidate trends in cluster stability, lattice energy, and ion-pairing behavior studies of simple hexatantalate salts in neat water, parent hydroxide solutions, and molybdate melts, extending previous studies on the isostructural hexaniobates. High temperature calorimetry of alkali salts of hexatantalate reveals that the enthalpies of formation from oxides of the K, Rb, and Cs salts are more similar to each other than they are for their niobate analogues and that the tantalate cluster is energetically less stable than hexaniobate. Aqueous dissolution calorimetry reveals that the cesium salt of hexatantalate has a similar concentration dependence on its dissolution enthalpy to that of hexaniobate. However, unlike~rubidium hexaniobate, rubidium hexatantalate also exhibits increased concentration dependence, indicating that hextantalate can undergo increased ion-pairing with alkali salts other than cesium, despite the dilute environments studied. Dissolution enthalpies of POM salts in the parent alkali hydroxides shows that protonation of clusters stabilizes lattices even more than the strongly associating heavy alkali cations do. Additionally, neither weak nor strong lattice ion associations necessarily correlates with respectively high or low aqueous solubility. These studies illuminate the importance of considering ion-pairing among the interrelated processes in the aqueous dissolution of ionic salts that can be extended to serving as a model of cation association to metal oxide surfaces. Alkali metal ; Chemistry ; Dissolution ; Inorganic chemistry ; Aqueous solution ; Rubidium ; Lattice energy ; Solubility ; Ionic bonding ; Salt (chemistry) ; Enthalpy ; Ion ; Crystallography ; Physical chemistry ; Crystal structure ; Potassium ; Thermodynamics ; Organic chemistry Polyoxometalates: Synthesis and Applications ; Layered Double Hydroxides Synthesis and Applications ; Chemical Synthesis and Characterization
Authors: Josh Jadischke
Source: Scholarship@Western (Western University) (article, 2018-01-01)
Field: Chemistry — Organic Chemistry

Glycopolymer Functionalization of Polymersomes Carbohydrates are important to cellular communication, recognition, and pathogenesis, making them a useful synthetic target for application in therapeutics and diagnosis. Synthetic carbohydrate presenting scaffolds can replicate or interrupt the binding interactions that occur in nature. Due to the weak nature of the monosaccharide-protein bond, most carbohydrate presenting scaffolds display saccharides in a multivalent manner to improve binding. Recently there has been an effort to combine carbohydrate containing scaffolds with polymersomes (vesicles composed of polymers), due to the structural resemblance of polymersome membranes to biological membranes. This thesis describes the progress towards functionalizing polymersomes with linear glycopolymers as a potential method to achieve improved multivalent binding. A novel beta-D-Galactose containing polymer was synthesized using reversible addition-fragmentation chain transfer polymerization. This polymer, as well as a previously reported glycopolymer based on a polyacrylamide backbone were labeled with rhodamine in order to quantify their subsequent conjugation to the polymersome surface. Two different vesicle platforms were investigated, polybutadiene-b-poly(ethylene glycol) and poly(ethylene glycol)-b-poly(ethyl glyoxylate)-b-poly(ethylene glycol). The experiments suggested that it is possible to conjugate the glycopolymers to the polymersome surfaces to obtain different glycopolymer densities and quantify the reaction yields using fluorescence spectroscopy. Future work will involve binding studies of the glycopolymer-coated vesicles to carbohydrate binding proteins (lectins). Polymersome ; Glycopolymer ; Surface modification ; Chemistry ; Copolymer Advanced Polymer Synthesis and Characterization ; biodegradable polymer synthesis and properties ; Model-Driven Software Engineering Techniques
Authors: Siliu Lyu
Source: Oskar-Bordeaux (Universite de Bordeaux) (article, 2018-07-06)
Field: Chemistry — Organic Chemistry

Elaboration, synthèse et étude de complexes organométalliques de ruthénium pour cellules solaires à colorant et cellules photo-électrochimiques. La première partie du projet consiste à synthétiser de nouveaux chromophores de structure D-π-[M]-π-A pour des applications en cellules solaires à colorant. La synthèse de complexes symétriques contenant deux fragments métalliques [Ru(dppe)2] sera ensuite envisagée pour obtenir des architectures de type D-π-A-π-D pouvant être testées comme matériau de type n ou p en cellules solaires organiques. Enfin, comme il a été précédemment démontré que la communication électronique peut avoir lieu à travers plusieurs centres ruthénium, la longueur du complexe pourra être augmentée par addition de plusieurs unités métallo-organiques pour conduire à des structures oligomériques aux propriétés d’absorption de l’énergie lumineuse exaltées. Chemistry ; Physics Chemistry and Stereochemistry Studies ; Photochromic and Fluorescence Chemistry ; Metal complexes synthesis and properties
Authors: Gui-Hua Zou | Yu-Long Zou | Guang-Zhi Shen
Source: Zeitschrift für Kristallographie - New Crystal Structures (article, 2018-04-18)
Field: Chemistry — Inorganic Chemistry

Crystal structure of <i>catena</i>-poly[diaqua-(μ<sub>2</sub>-3,5-bis(pyridin-4-ylmethoxy)benzoate-κ<sup>2</sup>N:O) manganese(II)] tetrahydrate [(3,5-bis-(pyridin-4-ylmethoxy)-benzoic-κ<sup>1</sup> <i>O</i>κ<sup>1</sup> <i>N</i>) manganese(II)] trihydrate, C<sub>38</sub>H<sub>42</sub>MnN<sub>4</sub>O<sub>14</sub> Abstract C 38 H 42 MnN 4 O 14 , monoclinic, C 2/ c (no. 15), a = 19.165(12) Å, b = 10.116(6) Å, c = 20.734(13) Å, β = 99.021(11)°, V = 3970(4) Å 3 , Z = 4, R gt ( F ) = 0.0486, wR ref ( F 2 ) = 0.1442, T = 293(2) K. Monoclinic crystal system ; Tetrahydrate ; Manganese ; Crystallography ; Chemistry ; Crystal structure ; Crystal (programming language) ; Computer science Metal-Organic Frameworks: Synthesis and Applications ; Magnetism in coordination complexes ; Polyoxometalates: Synthesis and Applications
Authors: David Johansson
Source: Lund University Publications Student Papers (Lund University) (article, 2018-01-01)
Field: Materials Science — Materials Chemistry

How ionized radicals bind to Ir(111) supported graphene In this thesis radical adsorption onto Ir(111) supported graphene at room temperature is studied using scanning tunneling microscopy. The radicals were formed in by thermal cleavage of C2H4 molecules. First of all, the analysis of the location of the adsorbed radicals reveals that the radicals prefer to adsorb in so-called HCP/FCC areas of the graphene film where the graphene film is located closer to the Ir(111) substrate. Further, the carbon bond configuration in these areas allows rehybridization from graphite like bonding to diamond like bonding upon radical adsorption. Secondly, the analysis of the relative distance between adsorbed radicals demonstrates that radicals have a tendency to bind in the immediate proximity of other radicals. Radical ; Graphene ; Adsorption ; Scanning tunneling microscope ; Photochemistry ; Chemistry ; Graphite ; Diamond ; Molecule ; Substrate (aquarium) ; Materials science ; Nanotechnology ; Organic chemistry Graphene research and applications ; Molecular Junctions and Nanostructures ; Chemical and Physical Properties of Materials
Authors: Marko Mihajlovic
Source: Data Archiving and Networked Services (DANS) (article, 2018-05-31)
Field: Chemistry — Organic Chemistry

Dimer fatty acid micellar hydrogels: synthesis, structure and properties Tough, hydrophobically Chemistry ; Dimer ; Self-healing hydrogels ; Fatty acid ; Biochemistry ; Organic chemistry Surfactants and Colloidal Systems ; Supramolecular Self-Assembly in Materials ; Analytical Chemistry and Chromatography
Authors: Emin Istif
Source: DIGITAL.CSIC (Spanish National Research Council (CSIC)) (article, 2018-09-01)
Field: Materials Science — Polymers and Plastics

Nanostructured polythiophene hybrid charge-transfer complexes Este trabajo se centra en la síntesis de nuevos nanohíbridos dador-aceptor (D/A) de politiofeno solubles en medios acuosos y en la elucidación de la interacción electrónica entre las unidades D/A como en el funcionamiento de los nanohíbridos en forma de películas delgadas en aplicaciones optoelectrónicas.&lt;br /&gt;Utilizando técnicas de auto-ensamblaje in-situ de politiofeno en presencia de diferentes nanomateriales como son el óxido de grafeno, puntos cuánticos de semiconductores o láminas de dicalcogenuros de metales de transición se ha conseguido la formación de complejos de transferencia de carga, solubles en agua y con superiores propiedades electrónicas de relevancia para el desarrollo de dispositivos optoelectrónicos basados en películas delgadas &lt;br /&gt; Materials science ; Humanities ; Art ; Physics Conducting polymers and applications ; Porphyrin and Phthalocyanine Chemistry ; Organic Electronics and Photovoltaics
Authors: Stefano Dissegna
Source: mediaTUM – the media and publications repository of the Technical University Munich (Technical University Munich) (article, 2018-01-01)
Field: Chemistry — Inorganic Chemistry

Defect engineering of Zr-based MOFs The targeted incorporation of defects in engineered materials is at the hearth of material science. In particular, in metal-organic frameworks (MOFs) a relatively new porous materials, defects seem to play a key role in synthetic methods and can become an important additional tool for designing MOFs with enhanced reactive properties. However, establishing a clear structure-property relationship remains a challenge still today. In this work, the incorporation of defects via the modulation approach into different Zr-based MOFs was studied. The system investigated, i.e. UiO-66 and MOF-808, were then characterized by water adsorption, high pressure PXRD (HPPXRD) and variable temperature XRD (VTXRD) in order to uncover the effect of defects in this material properties. Materials science ; Metal-organic framework ; Nanotechnology ; Porosity ; Adsorption ; Chemical engineering ; Chemistry ; Composite material ; Physical chemistry ; Engineering Metal-Organic Frameworks: Synthesis and Applications ; Boron and Carbon Nanomaterials Research ; X-ray Diffraction in Crystallography