jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Fabian Mehner | Martin Geisler | Kerstin Arnhold | Hartmut Komber | Jens Gaitzsch
Source: ACS Applied Polymer Materials (article, 2022-09-20)
Field: Materials Science — Biomaterials

Structure–Property Relationships in Polyesters from UV-Initiated Radical Ring-Opening Polymerization of 2-Methylene-1,3-dioxepane (MDO) Radical ring-opening polymerization (RROP) of 2-methylene-1,3-dioxepane (MDO) leads to a polymer that is structurally similar to poly(ε-caprolactone) (PCL). Despite the similarities, polymerized MDO (PMDO) is known to exhibit little or no semicrystallinity, which is often explained by the branching of PMDO caused by the free-radical polymerization. Branching in RROP can arise from intramolecular 1,7-H-transfer to result in short-chain branching or from intermolecular H-transfer, resulting in long-chain branching. In this study, we performed UV-initiated RROP to isolate several PMDO samples with varying amounts of branching while keeping the molar mass below 30,000 g/mol and the dispersity below 2.0. A detailed analysis by NMR spectroscopy clarified which signals belong to the ring-retaining structure of PMDO and that branching originated from the α-carbon next to the carbonyl unit of the ester group. A deeper insight into the viscosity of PMDO solutions following a size exclusion chromatography analysis suggested that both long-chain branching and short-chain branching existed but could not discriminate between both of them. It did, however, show that the Kη and the α values of the Kuhn–Mark–Houwink–Sakurada (KHMS) plot vary systematically with the branching density of PMDO. Thermal analysis by differential scanning calorimetry exposed a semicrystalline behavior with more than one melting peak for all investigated samples. Both the degree of crystallization and the melting temperature of the investigated melting peaks again correlated with the branching density of PMDO. Altogether, this study shed light on how macroscopic properties like viscosity and thermal behavior correlate with the branching density of PMDO and thus provides insights into the structure–property relationships of this polymer. It lays the basis to synthesize branched PCL analogues with fine-tuned stability for biomedical applications. Branching (polymer chemistry) ; Polymer chemistry ; Polymerization ; Chemistry ; Methylene ; Dispersity ; Kinetic chain length ; Crystallinity ; Degree of polymerization ; Polymer ; Molar mass ; Radical polymerization ; Crystallography ; Organic chemistry biodegradable polymer synthesis and properties ; Advanced Polymer Synthesis and Characterization ; Polymer crystallization and properties
Authors: Bijoy Dey | Vadapalli Chandrasekhar
Source: Dalton Transactions (review, 2022-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Fe<sup>II</sup> spin crossover complexes containing N<sub>4</sub>O<sub>2</sub> donor ligands Spin crossover (SCO) is one of the most studied magnetic bistable phenomena because of its application in the field of multifunctional magnetic materials. Fe<sup>II</sup> complexes in a N<sub>6</sub> coordination environment have been the most well-studied in terms of their SCO behaviour. Other coordination environments, notably the N<sub>4</sub>O<sub>2</sub> coordination environment, has also been quite effective in inducing SCO behaviour in the corresponding Fe<sup>II</sup> complexes. This review deals with such systems. The three ligand families that are discussed are: Jager type ligands, hydrazone based ligands and tridentate ligands having salicylaldehyde derivatives. These ligands allow the assembly of both mononuclear and multinuclear complexes that exhibit cooperative spin transitions. Also, Fe<sup>II</sup> complexes obtained from some of these ligands are multifunctional and exhibit a coupling of optical and magnetic properties. Most of the Fe<sup>II</sup> complexes obtained from these families of ligands are charge neutral which allows easy surface deposition. Further, modulation of these ligand families allows a fine tuning of the ligand field strength which results in varying SCO behavior. In addition some of the Fe<sup>II</sup> complexes derived from these ligands exhibit a light induced excited spin state trapping (LIESST) effect. All of the above aspects are reviewed in this review. Spin crossover ; Crystallography ; Chemistry ; Spin (aerodynamics) ; Materials science ; Physics Magnetism in coordination complexes ; Lanthanide and Transition Metal Complexes ; Metal-Catalyzed Oxygenation Mechanisms
Authors: Suchart Limkatanyu | Worathep Sae‐Long | Jaroon Rungamornrat | Chinnapat Buachart | Piti Sukontasukkul | Suraparb Keawsawasvong | Prinya Chindaprasirt
Source: Facta Universitatis Series Mechanical Engineering (article, 2022-11-30)
Field: Materials Science — Materials Chemistry

BENDING, BUCKLING AND FREE VIBRATION ANALYSES OF NANOBEAM-SUBSTRATE MEDIUM SYSTEMS This study presents a newly developed size-dependent beam-substrate medium model for bending, buckling, and free-vibration analyses of nanobeams resting on elastic substrate media. The Euler-Bernoulli beam theory describes the beam-section kinematics and the Winkler-foundation model represents interaction between the beam and its underlying substrate medium. The reformulated strain-gradient elasticity theory possessing three non-classical material constants is employed to address the beam-bulk material small-scale effect. The first and second constants is associated with the strain-gradient and couple-stress effects, respectively while the third constant is related to the velocity-gradient effect. The Gurtin-Murdoch surface elasticity theory is adopted to account for the surface-free energy. To obtain the system governing equation as well as corresponding boundary conditions, Hamilton’s principle is called for. Three numerical simulations are presented to characterize the influences of the material small-scale effect, the surface-energy effect, and the surrounding substrate medium on bending, buckling, and free vibration responses of nanobeam-substrate medium systems. The first simulation focuses on the bending response and shows the ability of the proposed model to eliminate the paradoxical characteristic inherent to nanobeam models proposed in the literature. The second and third simulations perform the sensitivity investigation of the system parameters on the buckling load and the natural frequency, respectively. All analytical results reveal that both material small-scale and surface-energy effects consistently stiffen the system response while the velocity-gradient effect weakens the system response. Furthermore, these sized-scale effects are more pronounced when the underlying substrate medium becomes softer. Buckling ; Boundary value problem ; Materials science ; Mechanics ; Timoshenko beam theory ; Beam (structure) ; Vibration ; Elasticity (physics) ; Bending ; Length scale ; Neutral plane ; Hamilton's principle ; Classical mechanics ; Physics ; Composite material ; Optics ; Acoustics Nonlocal and gradient elasticity in micro/nano structures ; Composite Structure Analysis and Optimization ; Force Microscopy Techniques and Applications
Authors: Jieying Liang | Qianfan Chen | Jueyi Xue | Kang Liang
Source: Chem Catalysis (article, 2022-09-01)
Field: Chemistry — Inorganic Chemistry

Reticular chemistry for improving the activity of biocatalysts: Synthesis strategies and advanced characterization techniques Scope (computer science) ; Biochemical engineering ; Nanotechnology ; Characterization (materials science) ; Biocatalysis ; Chemistry ; Computer science ; Catalysis ; Engineering ; Organic chemistry ; Materials science Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Advanced Nanomaterials in Catalysis
Authors: Nitish Deshpande | Jee-Yee Chen | Takeshi Kobayashi | Eun Hyun Cho | Hannah Pineault | Li‐Chiang Lin | Nicholas A. Brunelli
Source: Journal of Catalysis (article, 2022-09-24)
Field: Materials Science — Materials Chemistry

Investigating the impact of micropore volume of aminosilica functionalized SBA-15 on catalytic activity for amine-catalyzed reactions Chemistry ; Catalysis ; Silanol ; Microporous material ; Aldol reaction ; Silane ; Amine gas treating ; Isomerization ; Mesoporous material ; Calcination ; Organic chemistry ; Polymer chemistry Mesoporous Materials and Catalysis ; Zeolite Catalysis and Synthesis ; Covalent Organic Framework Applications
Authors: Angela Candreva | Wiktor Lewandowski | Massimo La Deda
Source: Journal of Nanoparticle Research (article, 2022-01-19)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Thickness control of the silica shell: a way to tune the plasmonic properties of isolated and assembled gold nanorods Abstract By combining photophysical measurements with transmission electron microscopy, we proved that the thickness of the silica shell around gold nanorods determines the position of the longitudinal plasmonic band when they are isolated in solution or assembled in solid. The silica thickness has been tuned by modulating the reaction time and the ratio between CTAB-coated gold nanorods and TEOS concentration, obtaining gold nanorods covered by a silica shell with a thickness varying from 3.5 to 24 nm. Considering this shell as a spacer between the gold cores, it is possible to modulate the coupling of the localized surface plasmon resonance (LSPR) of neighboring nanorods. Moreover, the comparison between the extinction spectra in solution and in solid, recorded from nanorods covered by silica shell with different thickness, can be used to estimate the inter-nanoparticles distance required for plasmon interaction. We found that LSPR coupling is effective when the distance between the gold cores is no more than 10 nm. When the distance is greater, the nanorods do not interact with each other. Nanorod ; Materials science ; Surface plasmon resonance ; Plasmon ; Shell (structure) ; Colloidal gold ; Transmission electron microscopy ; Scanning electron microscope ; Nanotechnology ; Coupling (piping) ; Nanoparticle ; Nanowire ; Chemical engineering ; Optoelectronics ; Composite material Gold and Silver Nanoparticles Synthesis and Applications ; Plasmonic and Surface Plasmon Research ; Nanocluster Synthesis and Applications
Authors: Kumar Vikrant | Hui Yang | Min Wook Chung | Ki‐Hyun Kim | Fan Dong | Seunghyun Weon | Changyong Hé | Philippe M. Heynderickx
Source: Materials Today Nano (article, 2022-11-16)
Field: Materials Science — Materials Chemistry

Two-dimensional titanium carbide (MXene)-supported Pt3Ti intermetallic compound catalysts for efficient room-temperature oxidative removal of gaseous formaldehyde Catalysis ; Formaldehyde ; Carbon monoxide ; Chemisorption ; Platinum ; Materials science ; Intermetallic ; Inorganic chemistry ; Carbide ; Decomposition ; Oxygen ; Chemistry ; Alloy ; Organic chemistry ; Metallurgy MXene and MAX Phase Materials ; Advanced Photocatalysis Techniques ; Electrocatalysts for Energy Conversion
Authors: Gerardo Salinas | Bernardo A. Frontana‐Uribe
Source: Electrochem (article, 2022-08-26)
Field: Materials Science — Polymers and Plastics

Electrochemical Analysis of Heavy Metal Ions Using Conducting Polymer Interfaces Conducting polymers (CPs) are highly conjugated organic macromolecules, where the electrical charge is transported in intra- and inter-chain pathways. Polyacetylene, polythiophene and its derivatives, polypyrrole and its derivatives, and polyaniline are among the best-known examples. These compounds have been used as electrode modifiers to gain sensitivity and selectivity in a large variety of analytical applications. This review, after a brief introduction to the electrochemistry of CPs, summarizes the application of CPs’ electrode interfaces towards heavy metals’ detection using potentiometry, pulse anodic stripping voltammetry, and alternative non-classical electrochemical methods. Polythiophene ; Polyaniline ; Conductive polymer ; Electrochemistry ; Polypyrrole ; Materials science ; Polymer ; Electrode ; Polyacetylene ; Metal ions in aqueous solution ; Cyclic voltammetry ; Voltammetry ; Metal ; Nanotechnology ; Chemical engineering ; Inorganic chemistry ; Chemistry ; Polymerization ; Physical chemistry ; Composite material Conducting polymers and applications ; Analytical Chemistry and Sensors ; Electrochemical Analysis and Applications
Authors: Ying Xiong | Tian Tian | Anouk L’Hermitte | Alba San José Méndez | David Danaci | Ana E. Platero‐Prats | Camille Petit
Source: Chemical Engineering Journal (article, 2022-05-21)
Field: Chemistry — Inorganic Chemistry

Using silver exchange to achieve high uptake and selectivity for propylene/propane separation in zeolite Y Adsorptive separation of propylene and propane, an important step of polypropylene production, is more energy-efficient than distillation. However, the challenge lies in the design of an adsorbent which exhibits both high selectivity and uptake. Herein, we hypothesise that enhancing the propylene affinity of the adsorption sites while keeping a suitable pore size can address this challenge. To do so, we performed silver exchange of a commercial zeolite Y, thereby making the adsorbent design easily scalable. We characterised the adsorbent using analytical, spectroscopic and imaging tools, tested its equilibrium and dynamic sorption properties using volumetric and gravimetric techniques and compared its performance to those of state-of-the-art adsorbents as well as other silver-functionalised adsorbents. The silver-exchanged zeolite Y (Ag-Y) exhibited one of the best selectivity vs uptake performances reported so far. Ag-Y also displayed fast adsorption kinetics and reversible propylene sorption, making it a promising new benchmark for propylene/propane separation. Synchrotron-based pair distribution function analyses identified the silver cations’ location which confirmed that the silver sites are easily accessible to the adsorbates. This aspect can, in part, explain the propylene/propane separation performance observed. The overall design strategy proposed here to enhance sorption site affinity and maintain pore size could be extended to other adsorbents and support the deployment of adsorption technology for propylene/propane separation. Propane ; Adsorption ; Sorption ; Zeolite ; Selectivity ; Chemical engineering ; Gravimetric analysis ; Ion exchange ; Air separation ; Selective adsorption ; Chemistry ; Polypropylene ; Materials science ; Organic chemistry ; Catalysis ; Ion Zeolite Catalysis and Synthesis ; Catalytic Processes in Materials Science ; Metal-Organic Frameworks: Synthesis and Applications
Authors: Jinjiang Zhang | Ji Ma | Xinliang Feng
Source: Macromolecular Chemistry and Physics (article, 2022-08-10)
Field: Materials Science — Materials Chemistry

Precision Synthesis of Boron‐Doped Graphene Nanoribbons: Recent Progress and Perspectives Abstract Structurally precision graphene nanoribbons (GNRs) have attracted great interest considering their prospective applications as organic carbon materials for nanoelectronics. The electronic properties of GNRs not only critically depend on the edge structure and width but also on the heteroatom type, doping position, and concentration. Motivated by the recent undisputable progress in the synthesis of stable boron‐doped polycyclic aromatic hydrocarbons (B‐PAHs), considerable efforts have been devoted to the precision synthesis of the corresponding boron‐doped GNRs (B‐GNRs) via bottom‐up synthesis approach in recent years in view of the extraordinary ability of boron doping on modulating their physiochemical properties. In this review, an overview of the bottom‐up organic synthesis of B‐GNRs, including the precursor design and synthesis, structure characterization of the resulting B‐GNRs, and investigation of their electronic properties is provided. Moreover, the future challenges and perspectives regarding the bottom‐up synthesis of B‐GNRs are also discussed. The authors hope that this review will further stimulate the synthesis and device integrations of B‐GNRs with a combined effort from different disciplines. Heteroatom ; Nanoelectronics ; Nanotechnology ; Graphene nanoribbons ; Boron ; Graphene ; Doping ; Materials science ; Chemistry ; Organic chemistry ; Optoelectronics Graphene research and applications ; Synthesis and Properties of Aromatic Compounds ; Advancements in Battery Materials
Authors: А. С. Бурлов | В. Г. Власенко | Maxim S. Milutka | Yu. V. Koshchienko | Nadezhda I. Makarova | Vladimir A. Lazarenko | Alexander L. Trigub | Alexandra A. Kolodina | Alexander A. Zubenko | А. В. Метелица | А. Д. Гарновский | А. Н. Гусев | Wolfgang Linert
Source: International Journal of Molecular Sciences (article, 2022-12-03)
Field: Chemistry — Organic Chemistry

Synthesis, Structure, Spectral-Luminescent Properties, and Biological Activity of Chlorine-Substituted N-[2-(Phenyliminomethyl)phenyl]-4-methylbenzenesulfamide and Their Zinc(II) Complexes New azomethine compounds of 2-(<i>N</i>-tosylamino)benzaldehyde or 5-chloro-2-(<i>N</i>-tosylamino)benzaldehyde and the corresponding chlorine-substituted anilines, zinc(II) complexes based on them have been synthesized. The structures of azomethines and their complexes were determined by elemental analysis, IR, <sup>1</sup>H NMR, X-ray spectroscopy, and X-ray diffraction. It is found that all ZnL<sub>2</sub> complexes have a tetrahedral structure according to XAFS and X-ray diffraction data. The photoluminescent properties of azomethines and zinc complexes in methylene chloride solution and in solid form have been studied. It is shown that the photoluminescence quantum yields of solid samples of the complexes are an order of magnitude higher compared to the solutions and range from 11.34% to 48.3%. The thermal properties of Zn(II) complexes were determined by thermal gravimetric analysis (TGA) and differential scanning calorimetry. The TGA curves of all the compounds suggest their high thermal stability up to temperatures higher than 290 °C. The electrochemical properties of all complexes were investigated by the cyclic voltammetry method. The multilayered devices ITO/PEDOT:PSS/NPD/Zn complex/ TPBI/LiF/Al with wide electroluminescence (EL) color range spanning the range from bluish-green (494 nm) to green (533 nm) and the high values of brightness, current and power efficiency were fabricated. The biological activity of azomethines and zinc complexes has been studied. In the case of complexes, the protistocidal activity of the zinc complex with azomethine of 5-chloro-2-(<i>N</i>-tosylamino)benzaldehyde with 4-chloroaniline was two times higher than the activity of the reference drug toltrazuril. Benzaldehyde ; Zinc ; Thermogravimetric analysis ; Photoluminescence ; Chemistry ; Thermal stability ; Cyclic voltammetry ; Luminescence ; Thermal analysis ; Nuclear chemistry ; Inorganic chemistry ; Materials science ; Physical chemistry ; Electrochemistry ; Organic chemistry Synthesis and biological activity ; Synthesis and Characterization of Heterocyclic Compounds ; Metal complexes synthesis and properties
Authors: Xiuquan Zhou | Christos D. Malliakas | Andrey A. Yakovenko | Brandon Wilfong | Suyin G. Wang | Yu‐Sheng Chen | Lei Yu | Jianguo Wen | Mahalingam Balasubramanian | Hsien‐Hau Wang | Duck Young Chung | Mercouri G. Kanatzidis
Source: Nature Synthesis (article, 2022-08-15)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Coherent approach to two-dimensional heterolayered oxychalcogenides using molten hydroxides Chalcogenide ; Stacking ; Oxide ; Materials science ; Diffusion ; Stack (abstract data type) ; Crystal (programming language) ; Crystal growth ; Nanotechnology ; Chemistry ; Crystallography ; Computer science ; Thermodynamics ; Metallurgy ; Physics Iron-based superconductors research ; 2D Materials and Applications ; Chalcogenide Semiconductor Thin Films
Authors: Suguru Iwai | Taichi Suzuki | Hiroki Sakagami | Kazuhiro Miyamoto | Zhenghao Chen | Mariko Konishi | Elena Villani | Naoki Shida | Ikuyoshi Tomita | Shinsuke Inagi
Source: Communications Chemistry (article, 2022-05-27)
Field: Materials Science — Polymers and Plastics

Electropolymerization without an electric power supply Electrifying synthesis is now a common slogan among synthetic chemists. In addition to the conventional two- or three-electrode systems that use batch-type cells, recent progress in organic electrochemical processes has been significant, including microflow electrochemical reactors, Li-ion battery-like technology, and bipolar electrochemistry. Herein we demonstrate an advanced electrosynthesis method without the application of electric power based on the concept of streaming potential-driven bipolar electrochemistry. As a proof-of-concept study, the electrochemical oxidative polymerization of aromatic monomers successfully yielded the corresponding polymer films on an electrode surface, which acted as an anode under the flow of electrolyte in a microchannel without an electric power supply. Electric power ; Power (physics) ; Electrical engineering ; Materials science ; Engineering ; Physics Conducting polymers and applications ; Radical Photochemical Reactions ; Advanced Chemical Sensor Technologies
Authors: S. Doyle | Louise Ryan | M. McCarthy | M. Modreanu | Michael Schmidt | Fathima Laffir | Ian M. Povey | Martyn E. Pemble
Source: Materials Advances (article, 2022-01-01)
Field: Materials Science — Materials Chemistry

Combinatorial ALD for the growth of ZnO/TiO<sub>2</sub>nanolaminates and mixed ZnO/TiO<sub>2</sub>nanostructured films The importance of understanding the growth fundamentals of ZnO/TiO 2 nanolaminate structures deposited by atomic layer deposition is explored. Atomic layer deposition ; Materials science ; Deposition (geology) ; Nanotechnology ; Chemical engineering ; Layer (electronics) ; Nanostructure ; Optoelectronics ZnO doping and properties ; Semiconductor materials and devices ; Electronic and Structural Properties of Oxides
Authors: Joshua J. P. Thompson | Victoria A. Lumsargis | Maja Feierabend | Quichen Zhao | Kang Wang | Letian Dou | Libai Huang | Ermin Malić
Source: Nanoscale (article, 2022-12-19)
Field: Materials Science — Materials Chemistry

Interlayer exciton landscape in WS<sub>2</sub>/tetracene heterostructures The vertical stacking of two-dimensional materials into heterostructures gives rise to a plethora of intriguing optoelectronic properties and presents an unprecedented potential for technological development. While much progress has been made combining different monolayers of transition metal dichalcogenides (TMDs), little is known about TMD-based heterostructures including organic layers of molecules. Here, we present a joint theory-experiment study on a TMD/tetracene heterostructure demonstrating clear signatures of spatially separated interlayer excitons in low temperature photoluminescence spectra. Here, the Coulomb-bound electrons and holes are localized either in the TMD or in the molecule layer, respectively. We reveal both in theory and experiment signatures of the entire intra- and interlayer exciton landscape in the photoluminescence spectra. In particular, we find both in theory and experiment a pronounced transfer of intensity from the intralayer TMD exciton to a series of energetically lower interlayer excitons with decreasing temperature. In addition, we find signatures of phonon-sidebands stemming from these interlayer exciton states. Our findings shed light on the microscopic nature of interlayer excitons in TMD/molecule heterostructures and could have important implications for technological applications of these materials. Tetracene ; Exciton ; Materials science ; Heterojunction ; Chemical physics ; Nanotechnology ; Optoelectronics ; Condensed matter physics ; Physics ; Chemistry ; Photochemistry ; Anthracene 2D Materials and Applications ; Perovskite Materials and Applications ; MXene and MAX Phase Materials