jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Takehiro Tamura | Junya Ohyama | Kyoichi Sawabe | Atsushi Satsuma
Source: Catalysis Today (article, 2022-06-29)
Field: Materials Science — Materials Chemistry

Enhanced CO oxidation by reversible structural variation of supported Ag nanoparticle catalyst from single to twin by CO treatment Nanoparticle ; Catalysis ; Single crystal ; Adsorption ; Materials science ; Metal ; Crystal structure ; Transition metal ; Crystallography ; Particle (ecology) ; Chemical engineering ; Inorganic chemistry ; Chemistry ; Nanotechnology ; Physical chemistry ; Organic chemistry ; Metallurgy Catalytic Processes in Materials Science ; nanoparticles nucleation surface interactions ; Nanomaterials for catalytic reactions
Authors: Xue Yu | Natalie Fehn | Viktoria Katharina Brandt | Michele Stasi | Job Boekhoven | Ueli Heiz | Aras Kartouzian
Source: Chirality (article, 2022-01-05)
Field: Materials Science — Biomaterials

Tunable induced circular dichroism in gels The ICD phenomenon has drawn a lot of attention in recent years in applicable fields such as chiral sensing and chiroptical devices. In this work, we first gaze at the issues of thin spin-coated films not being able to deliver consistent ICD signals. A hypothesis of the underlying problem is proposed through a brief elucidation of the spin-coating process. To confirm and eliminate the uncontrollable dynamic factors with spin coating, we then dedicate our efforts to develop a new gel system based on chiral L-/D-N',N'-Dibenzoyl-cystine. Achiral dye molecules are intercalated in a DBC gel through a "one-step" preparation procedure. Compared to the former spin-coating system, significantly improved reproducibility of the new gel system is demonstrated. Besides, the ICD signals can be customized in a broad spectral range (wavelength tunability) by substituting dye molecules. Finally, we discuss the potential applications of this interesting system. Chemistry ; Circular dichroism ; Vibrational circular dichroism ; Nanotechnology ; Crystallography Supramolecular Self-Assembly in Materials ; Photoreceptor and optogenetics research ; Molecular spectroscopy and chirality
Authors: Paula Borovik | Víctor Oestreicher | Paula C. Angelomé | Beatriz C. Barja | Matı́as Jobbágy
Source: Journal of Sol-Gel Science and Technology (article, 2022-03-25)
Field: Materials Science — Materials Chemistry

Room temperature synthesis of lanthanum phosphates with controlled nanotexture as host for Ln(III) through the Epoxide Route Abstract Herein, the Epoxide Route , a one-pot room temperature alkalinization method based on the reaction between a nucleophile and an epoxide, has been employed to synthesize LaPO 4 in the form of a Rhabdophane phase. The intrinsic features of this synthetic approach allow the reaction to be followed by pH monitoring, making possible the identification of the different precipitation steps involved in the formation of the solid. Once demonstrated the effectiveness of this chemical methodology, the size and shape of the LaPO 4 particles were controlled by varying the identity and proportion of the organic co-solvents employed to perform the reaction. By these means, crystalline particles with dumbbell, urchin and needle shapes were obtained, with sizes that ranged from less than 200 nm to more than 5 μm. Finally, luminescent materials in the form of a LnPO 4 Rhabdophane structure were easily obtained by the incorporation of Eu III along the whole composition range. Additionally, photophysical characterization of selected samples was performed, with a promising outcome. The results presented in this work pave the way to obtaining a wide variety of luminescent materials with sizes and morphologies adjustable on demand, by using a simple and reliable synthetic approach. Epoxide ; Luminescence ; Nucleophile ; Lanthanum ; Chemistry ; Precipitation ; Materials science ; Chemical engineering ; Nanotechnology ; Inorganic chemistry ; Organic chemistry ; Catalysis Lanthanide and Transition Metal Complexes ; Luminescence Properties of Advanced Materials ; Polyoxometalates: Synthesis and Applications
Authors: Deepthi John | V. Sivanandan Achari
Source: Current Science (article, 2022-11-10)
Field: Materials Science — Materials Chemistry

Graphene-based TiO2 photocatalysts for water decontamination: a brief overview of photocatalytic and antimicrobial performances This article highlights the major accomplishments in photocatalytic research and reported-antimicrobial activities of graphene-based titanium dioxide (TiO 2 ) hybrids.Special focus is given to the applications of TiO 2 -graphene and its major forms (TiO 2 -graphene oxide and TiO 2 -reduced graphene oxide) in wastewater treatments.Particularly, for systems envisaged for removing emerging micro-pollutants and microbial pathogens in real-life scenarios.The efficiency of the photocatalysts is found to be influenced by several factors, including the surface, chemical, morphological and interfacial characteristics of the hybrids.The mode of interaction of catalysts with pollutants, the percentage of graphene content and the nature of irradiation sources could alter the expected photocatalytic efficacy.It is concluded that the incorporation of graphene in TiO 2 improves its photocatalytic performance by boosting photo-responsiveness and suppressing electron-hole recombination.The oxidative stress by reactive oxygen species and membrane stress due to the material's physico-chemical properties account for the observed antimicrobial activities under controlled conditions of light irradiation. Human decontamination ; Photocatalysis ; Antimicrobial ; Water disinfection ; Graphene ; Waste management ; Environmental science ; Materials science ; Environmental chemistry ; Nanotechnology ; Microbiology ; Chemistry ; Environmental engineering ; Engineering ; Biology Advanced Nanomaterials in Catalysis ; Economic and Technological Innovation ; TiO2 Photocatalysis and Solar Cells
Authors: Hyeong Jin Kim | Wenjie Wang | Wei Bu | Surya K. Mallapragada | David Vaknin
Source: ACS Applied Nano Materials (article, 2022-11-29)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Lamellar and Hexagonal Assemblies of PEG-Grafted Silver Nanoparticles: Implications for Plasmonics and Photonics Assembly of silver nanoparticles (AgNPs) grafted with thiolated poly(ethylene glycol) (PEG-SH) with various molecular weights is reported. Synchrotron-based X-ray surface-sensitive diffraction methods are used to determine the nature of two-dimensional (2D) assemblies at liquid/vapor interfaces, and small-angle X-ray scattering (SAXS) is used to monitor the three-dimensional (3D) assemblies in bulk suspensions. We find that assembly can be induced either by the addition of K2CO3 or polyacrylic acid (PAA) to the PEG-AgNP aqueous suspensions. The addition of K2CO3 induces a 2D hexagonal structure at the liquid/vapor interface and a 3D hexagonal columnar structure in solutions, where the columns consist of tethered PEG-AgNP chains. On the other hand, the addition of PAA leads to the formation of a 2D lamella-like distorted hexagonal sheet at the liquid/vapor interface and a 3D lamellar superstructure formed by stacked 2D sheets in the PEG-AgNP suspension. Effects of the core type of nanoparticles on the assembly can be used to control structures for potential applications in plasmonics and photonics. Materials science ; Lamellar structure ; Ethylene glycol ; Nanoparticle ; Chemical engineering ; PEG ratio ; Silver nanoparticle ; Nanotechnology ; Small-angle X-ray scattering ; Lamella (surface anatomy) ; Scattering ; Composite material ; Optics Gold and Silver Nanoparticles Synthesis and Applications ; Molecular Junctions and Nanostructures ; Quantum Dots Synthesis And Properties
Authors: Tulsi Satyavir Dabodiya | Haitao Yu | Miaosi Li | Xuehua Zhang
Source: Colloids and Surfaces A Physicochemical and Engineering Aspects (article, 2022-06-07)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Sequential droplet reactions for surface-bound gold nanocrater array Substrate (aquarium) ; Chemistry ; Aqueous solution ; Catalysis ; Nanoparticle ; X-ray photoelectron spectroscopy ; Chemical engineering ; Ion ; Nanomaterials ; Colloidal gold ; Nanotechnology ; Materials science ; Organic chemistry Gold and Silver Nanoparticles Synthesis and Applications ; Innovative Microfluidic and Catalytic Techniques Innovation ; Pickering emulsions and particle stabilization
Authors: Marc Palà | Hafssa El Khannaji | Manuela Garay‐Sarmiento | Juan C. Ronda | Virgínia Cádiz | Marina Galià | Virgil Percec | César Rodriguez‐Emmenegger | Gerard Lligadas
Source: Green Chemistry (article, 2022-01-01)
Field: Materials Science — Biomaterials

A green solvent-to-polymer upgrading approach to water-soluble LCST poly(<i>N</i>-substituted lactamide acrylate)s A solvent-to-polymer upgrading strategy was developed to convert green solvents of the lactic acid portfolio into LCST-type acrylic polymers and hydrogels. Lower critical solution temperature ; Acrylate ; Solvent ; Polymer ; Polymer chemistry ; Acrylic acid ; Self-healing hydrogels ; Chemistry ; Chemical engineering ; Materials science ; Organic chemistry ; Copolymer biodegradable polymer synthesis and properties ; Advanced Polymer Synthesis and Characterization ; Photopolymerization techniques and applications
Authors: A. Kocot | Barbara Loska | Yuki Arakawa | Georg H. Mehl | Katarzyna Merkel
Source: International Journal of Molecular Sciences (article, 2022-07-20)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Study of the Experimental and Simulated Vibrational Spectra Together with Conformational Analysis of Thioether Cyanobiphenyl-Based Liquid Crystal Dimers Infrared spectroscopy (IR) and quantum chemistry calculations that are based on the density functional theory (DFT) have been used to study the structure and molecular interactions of the nematic and twist-bend phases of thioether-linked dimers. Infrared absorbance measurements were conducted in a polarized beam for a homogeneously aligned sample in order to obtain more details about the orientation of the vibrational transition dipole moments. The distributions to investigate the structure and conformation of the molecule dihedral angle were calculated. The calculated spectrum was compared with the experimental infrared spectra and as a result, detailed vibrational assignments are reported. Infrared spectroscopy ; Dihedral angle ; Thioether ; Infrared ; Chemistry ; Density functional theory ; Molecule ; Liquid crystal ; Absorbance ; Molecular vibration ; Dipole ; Crystallography ; Molecular geometry ; Molecular physics ; Computational chemistry ; Materials science ; Organic chemistry ; Optics ; Hydrogen bond ; Physics Liquid Crystal Research Advancements ; Photochemistry and Electron Transfer Studies ; Molecular spectroscopy and chirality
Authors: Moxia Li | Yaomengli Xu | Bingwu Liu | Jianfang Liu | Xuguang Sun | Dongmei Deng | Xidong Duan | Jiawen Hu
Source: Science China Materials (article, 2022-04-12)
Field: Materials Science — Materials Chemistry

Bottom-up fabrication of three-dimensional nanoporous gold from Au nanoparticles using nanowelding Materials science ; Nanoporous ; Fabrication ; Nanotechnology ; Nanomaterials ; Monolayer ; Nanoparticle ; Electrocatalyst ; Porosity ; Chemical engineering ; Electrochemistry ; Electrode ; Composite material Nanoporous metals and alloys ; Electrocatalysts for Energy Conversion ; Nanocluster Synthesis and Applications
Authors: Tanya Tsoncheva | Gloria Issa | Radostina Ivanova | Momtchil Dimitrov | Daniela Kovacheva | Genoveva Atanasova | Jiří Henych
Source: Symmetry (article, 2022-04-06)
Field: Materials Science — Materials Chemistry

Design Control of Copper-Doped Titania–Zirconia Catalysts for Methanol Decomposition and Total Oxidation of Ethyl Acetate This study is focused on the design control of Cu–Zr–Ti oxide composites by the variation of the Zr/Ti ratio and the copper deposition procedure used. For the first time, these ternary composites were obtained by a combination of template-assisted hydrothermal techniques for the preparation of mesoporous ZrO2–TiO2 mixed oxides with diverse compositions, followed by the consecutive chemisorption and hydrolysis of copper ammonia complexes on them. The nitrogen physisorption, XRD, SEM, HRTEM, TPR, XPS, UV-Vis, and Raman spectroscopies were applied for the catalysts’ characterization. Methanol decomposition and the total oxidation of ethyl acetate, both of which with potential for sustainable environmental protection, were used as catalytic tests. The complex relationship between the phase composition, structure, and morphology of titania–zirconia mixed oxides and the state and catalytic behavior of the copper oxide species supported on them was investigated. In comparison with the conventional impregnation technique, the novel preparation procedure revealed the generation of more uniform and homogeneously dispersed needle-like copper oxide crystallites in the mesoporous TiO2–ZrO2 host matrix, which typically ensure improved catalytic performance. The synergistic activity between the loaded copper species and TiO2–ZrO2 support was discussed. All ternary composites exhibited superior catalytic activity in total oxidation of ethyl acetate. The specific behavior of the catalysts in methanol decomposition was related to the irreversible phase transformations by the influence of the reaction medium. Catalysis ; Copper ; Mesoporous material ; Copper oxide ; Materials science ; Methanol ; Inorganic chemistry ; Oxide ; Cubic zirconia ; Chemical engineering ; Nuclear chemistry ; Chemistry ; Organic chemistry ; Metallurgy ; Ceramic Catalytic Processes in Materials Science ; Catalysis and Oxidation Reactions ; Nanomaterials for catalytic reactions
Authors: Timothé Maujean | Patrice Marchand | Patrick Wagner | Stéphanie Riché | Frédéric Boisson | Nicolas Girard | Dominique Bonnet | Mihaela Gulea
Source: Chemical Communications (article, 2022-01-01)
Field: Chemistry — Organic Chemistry

Hetero-Diels–Alder click reaction of dithioesters for a catalyst-free indirect <sup>18</sup>F-radiolabelling of peptides The HDA reaction of dithioesters was developed as a new click-reaction compatible with the indirect <sup>18</sup>F-labelling of peptides. It involves dithioester-peptides and a radiofluorinated diene as a novel prosthetic group. The method was applied to a PSMA-ligand for the <i>in vivo</i> detection of LNCap tumors in xenografted mice. Chemistry ; Catalysis ; Click chemistry ; Labelling ; In vivo ; Peptide ; Ligand (biochemistry) ; Combinatorial chemistry ; Diels–Alder reaction ; Organic chemistry ; Biochemistry ; Receptor Click Chemistry and Applications ; Chemical Synthesis and Analysis ; Peptidase Inhibition and Analysis
Authors: Guglielmo Albani | Luca Schio | Francesco Goto | Alberto Calloni | Alessio Orbelli Biroli | Alberto Bossi | Francesco Melone | Simona Achilli | Guido Fratesi | Carlo Zucchetti | Luca Floreano | Gianlorenzo Bussetti
Source: Physical Chemistry Chemical Physics (article, 2022-01-01)
Field: Materials Science — Materials Chemistry

Ordered assembly of non-planar vanadyl-tetraphenylporphyrins on ultra-thin iron oxide Stabilizing ordered assemblies of molecules represents the first step towards the construction of molecular devices featuring hybrid (organic-inorganic) interfaces where molecules can be easily functionalized in view of specific applications. Molecular layers of planar metal-tetraphenylporphyrins (MTPP) grown on an ultrathin iron oxide [namely Fe(001)-<i>p</i>(1 × 1)O] show indeed a high degree of structural order. The generality of such a picture is tested by exploiting non-planar porphyrins, such as vanadyl-TPP (VOTPP). These molecules feature a VO<sup>2+</sup> ion in their center, with the O atom protruding out of the plane of the porphyrin ring. In this work, by employing diffraction, photoemission and X-ray absorption, we prove that non-planar VOTPP can nevertheless form a square and ordered superstructure, where porphyrin molecules lie flat with respect to the underlying substrate. <i>Ab initio</i> density functional theory simulations are used to elucidate the VO bond orientation with respect to the iron substrate. Oxide ; Planar ; Layer (electronics) ; Materials science ; Crystallography ; Core (optical fiber) ; Thin film ; Chemistry ; Nanotechnology ; Inorganic chemistry ; Metallurgy ; Composite material Porphyrin and Phthalocyanine Chemistry ; Molecular Junctions and Nanostructures ; Surface Chemistry and Catalysis
Authors: Rubén D. Parra
Source: Sci (article, 2022-02-25)
Field: Chemistry — Physical and Theoretical Chemistry

Halogen-Bonded Driven Tetra-Substituted Benzene Dimers and Trimers: Potential Hosts for Metal Ions Cyclic dimers and trimers of tetra-substituted benzenes, ((HOOC)2-C6H2-(NHI)2), are selected as convenient model systems for investigating NI…O=C halogen bond strength and cooperativity. The four substituents in benzene are chosen so that two of them act as halogen bond acceptors (COOH) and two act as halogen bond donors (NHI), as shown in the graphical abstract below. The potential for metal ion binding by each of the halogen-bonded aggregates is also investigated using the monoatomic sodium ion, Na+. Density functional theory calculations performed using the wB97XD functional and the DGDZVP basis set confirmed the ability of halogen bonding to drive the formation of the cyclic dimers and trimers of the model system chosen for this study. Evidence of halogen bond cooperativity is seen, for example, in a 9% shortening of each NI…O=C halogen bond distance with a corresponding 53% increase in the respective critical point density value, ρNI…O=C. Cooperativity also results in a 36% increase in the magnitude of the complexation energy per halogen-bond of the trimer relative to that of the dimer. The results of this study confirm the potential for binding a single Na+ ion by either the dimer or the trimer through their respective halogen-bond networks. Binding of two metal ions was shown to be possible by the dimer. Likewise, the trimer was also found to bind three metal ions. Lastly, the overall structure of the halogen-bonded dimer or trimer endured after complexation of the Na+ ions. Trimer ; Halogen bond ; Dimer ; Chemistry ; Cooperativity ; Halogen ; Crystallography ; Binding energy ; Density functional theory ; Metal ions in aqueous solution ; Metal ; Computational chemistry ; Organic chemistry ; Atomic physics Crystallography and molecular interactions ; Crystal structures of chemical compounds ; Polymer Synthesis and Characterization
Authors: Aleksandra Pacuła | A. Drelinkiewicz | Małgorzata Ruggiero‐Mikołajczyk | Piotr Pietrzyk | Robert P. Socha | Marcel Krzan | Małgorzata Nattich-Rak | Dorota Duraczyńska | Elżbieta Bielańska | Małgorzata Zimowska
Source: Journal of Materials Science (article, 2022-10-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

N-doped carbon materials produced by CVD with the compounds derived from LDHs Abstract Layered double hydroxides (LDHs) of various compositions, i.e. Mg–Al, Mg–Mn–Al, are applied as the precursors of metal oxides for the preparation of N-doped carbon materials via chemical vapour deposition (CVD) with acetonitrile (as carbon and nitrogen source) at 600 and 700 °C. The use of Mn-containing LDHs for the preparation of the carbon materials is a novelty. The impact of transition metal species, i.e. Mn x O y , in a blend of metal oxides derived from LDHs on the amount of carbon deposit and its composition, morphology, textural and capacitive properties is investigated. Mn-containing species occurring in a mixture of metal oxides enhance the quantity of carbonaceous product compared to those derived from Mg–Al LDHs. Thermally heated Mg–Mn–Al LDHs contain structural defects due to manganese oxides, which promote the formation of carbon deposit, especially higher production of amorphous carbons. The addition of Mn into Mg–Al LDHs matrix leads to carbon particles with increased N-doping and enhanced volume of mesopores. Furthermore, graphitic domains occurring in the carbon materials obtained with Mg–Mn–Al LDHs are thicker than those in the corresponding samples obtained with Mg–Al LDHs as Mn-containing species influence the concentration and location of N-containing groups in graphitic array. The specific capacitance of the carbon materials produced by CVD with the compounds derived from Mg–Al LDHs or Mg–Mn–Al LDHs is comparable (20–25 μF cm −2 ). The formation of electrical double layer at electrode/electrolyte interface is easier for the carbon materials prepared at 700 °C than for the carbon materials prepared at 600 °C. The maximum charge is stored either in the shallow parts of carbon particles for the former, as they contain bottleneck mesopores, or in the deep parts of carbon particles for the latter, as they contain slit-shaped mesopores. Graphical abstract Materials science ; Carbon fibers ; Layered double hydroxides ; Chemical engineering ; Inorganic chemistry ; Metal ; Amorphous solid ; Amorphous carbon ; Hydroxide ; Composite number ; Metallurgy ; Chemistry ; Organic chemistry ; Composite material Supercapacitor Materials and Fabrication ; Layered Double Hydroxides Synthesis and Applications ; Aerogels and thermal insulation
Authors: Sara Nilsson | Alvaro Posada-Borbón | Mario Zapata-Herrera | Alice Bastos da Silva Fanta | David Albinsson | Joachim Fritzsche | V. M. Silkin | Javier Aizpurua | Henrik Grönbeck | Rubén Esteban | Christoph Langhammer
Source: Physical Review Materials (article, 2022-04-15)
Field: Materials Science — Materials Chemistry

Probing the role of grain boundaries in single Cu nanoparticle oxidation by <i>in situ</i> plasmonic scattering Grain boundaries determine physical properties of bulk materials including ductility, diffusivity, and electrical conductivity. However, the role of grain boundaries in nanostructures and nanoparticles is much less understood, despite the wide application of nanoparticles in nanophotonics, nanoelectronics, and heterogeneous catalysis. Here, we investigate the role of high-angle grain boundaries in the oxidation of Cu nanoparticles, using a combination of in situ single particle plasmonic nanoimaging and $postmortem$ transmission electron microscopy image analysis, together with ab initio and classical electromagnetic calculations. We find an initial growth of a 5-nm-thick ${\mathrm{Cu}}_{2}\mathrm{O}$ shell on all nanoparticles, irrespective of different grain morphologies. This insensitivity of the ${\mathrm{Cu}}_{2}\mathrm{O}$ shell on the grain morphology is rationalized by extraction of Cu atoms from the metal lattice being the rate limiting step, as proposed by density functional theory calculations. Furthermore, we find that the change in optical scattering intensity measured from the individual particles can be deconvoluted into one contribution from the oxide layer growth and one contribution that is directly proportional to the grain boundary density. The latter contribution signals accumulation of Cu vacancies at the grain boundaries, which, as corroborated by calculations of the optical scattering, leads to increased absorption losses and thus a decrease of the scattering, thereby manifesting the role of grain boundaries as vacancy sinks and nuclei for Kirkendall void formation at a later stage of the oxidation process. Materials science ; Grain boundary ; Scattering ; Nanoparticle ; Chemical physics ; Crystallite ; Grain growth ; Plasmon ; Condensed matter physics ; Molecular physics ; Nanotechnology ; Grain size ; Microstructure ; Metallurgy ; Optoelectronics ; Optics Copper-based nanomaterials and applications ; Gold and Silver Nanoparticles Synthesis and Applications ; nanoparticles nucleation surface interactions