Materials Literature
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Colloidal quantum dots (QDs) are nanosized semiconductors whose electronic features are dictated by the quantum confinement effect. The optical, electrical, and chemical properties of QDs are influenced by their dimensions and surface landscape. The surface of II-VI and IV-VI QDs has been extensively explored; however…
Abstract An alkynyl‐protected gold nanocluster, Au 22 ( t BuC≡C) 18 ( 1 ), has been synthesized and its structure has been determined by single‐crystal X‐ray diffraction. The molecular structure consists of a Au 13 cuboctahedron kernel and three [Au 3 ( t BuC≡C) 4 ] trimeric staples. The cluster 1 has strong luminesce…
Ablative composites are highly endothermic sacrificial thermal protection materials that are indispensable to the aerospace industry. Polymeric ablatives are the most versatile and the largest class of thermal protection materials due to their capability to be to varied hyperthermal environments. Carbon/carbon composi…
Biomedical applications increasingly require fully characterized new nanomaterials. There is strong evidence showing that nanomaterials not only interact with cells passively but also actively, mediating essential molecular processes for the regulation of cellular functions, but we are only starting to understand the…
Organic solid-state emissive materials have gained much attention in recent times due to their excellent optoelectronic properties leading to successful commercialization for organic electronics.
calculations, simulation, machine learning (ML) and optimization strategies for describing, solving and predicting chemical data and related phenomena. These include accelerated literature searches, analysis and prediction of physical and quantum chemical properties, transition states, chemical structures, chemical re…
Thin films of Ge, ZnS, Y b F 3 , and L a F 3 produced using e-beam evaporation on ZnSe and Ge substrates were characterized in the range of 0.4–12 µm. It was found that the Sellmeier model provides the best fit for refractive indices of ZnSe substrate, ZnS, and L a F 3 films; the Cauchy model provides the best fit for…
The most successful and popular machine learning models of atomic-scale properties derive their transferability from a locality ansatz. The properties of a large molecule or a bulk material are written as a sum over contributions that depend on the configurations within finite atom-centered environments. The obvious d…
Motivated by the discovery of the nickelate superconductor Nd${}_{0.8}$Sr${}_{0.2}$NiO${}_{2}$, the authors construct an effective low-energy Hamiltonian for the parent compound NdNiO${}_{2}$, which is found to be strongly correlated. While high-T${}_{c}$ superconductivity emerges near the Mott-insulating phase in the…
The growing threat of global climate change has received increasing attention in recent years. The conversion of CO 2 to fuels and chemicals is vital for reducing emissions of greenhouse gases and neutralizing the negative impacts of CO 2 emissions on the environment. Various CO 2 conversion routes have been proposed…
Abstract The residual of malignant tumor cells and lack of bone‐tissue integration are the two critical concerns of bone‐tumor recurrence and surgical failure. In this work, the rational integration of 2D Ti 3 C 2 MXene is reported with 3D‐printing bioactive glass (BG) scaffolds for achieving concurrent bone‐tumor kil…
Spin-crossover (SCO) active transition metal complexes are an important class of switchable molecular materials due to their bistable spin-state switching characteristics at or around room temperature. Vacuum-sublimable SCO complexes are a subclass of SCO complexes suitable for fabricating ultraclean spin-switchable f…
Since the past decade, enormous research efforts have been devoted to the detection/degradation and quantification of environmental toxic pollutants and biologically important molecules due to their ubiquitous necessity in the fields of environmental protection and human health. These fields of sensor and catalysis ar…
Abstract The investigation of two‐dimensional (2D) ferroelectrics has attracted significant interest in recent years for applications in functional electronics. Without the limitation of a finite size effect, 2D materials with stable layered structures and reduced surface energy may go beyond the presence of an enhanc…
We study the de Haas-van Alphen (dHvA) oscillations in the two-dimensional compensated metal with overtilted Dirac cones near the Lifshitz transition. We employ the tight-binding model of α−(BEDT−TTF)2I3, in which the massless Dirac fermions are realized. When a uniaxial pressure (P) along the y axis is applied above…
Το γραφένιο είναι ένας τέλειος διδιάστατος κρύσταλλος ομοιοπολικά συνδεδεμένων ατόμων άνθρακα που υπόσχεται έναν αριθμό ηλεκτρικών θερμικών και μηχανικών εφαρμογών λόγω των εξαιρετικών φυσικών ιδιοτήτων του. Οι εντυπωσιακές μηχανικές του ιδιότητες καθιστούν ικανή τη χρήση του γραφενίου σε σύνθετα πολυμερή υψηλής απόδο…
Les alliages austénitiques réfractaires Fe-Ni-Cr sont utilisés pour la fabrication des tubes coulés par centrifugation constituant les fours de vapocraquage. Ces tubes sont soumis à de très hautes températures (950-1150°C) sous quelques bars dans un environnement sévère (oxydation, carburation, cokage, …). Les dévelop…
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Dans le contexte de l'aéronef plus électrique, la gestion thermique de multiples composants dissipatifs au sein d'un unique système de refroidissement apparait être une problématique critique. En particulier, l'utilisation de multiples évaporateurs intégrés à un système fluidique unique, permettant d'extraire localeme…
Les alliages austénitiques réfractaires Fe-Ni-Cr sont utilisés pour la fabrication des tubes coulés par centrifugation constituant les fours de vapocraquage. Ces tubes sont soumis à de très hautes températures (950-1150°C) sous quelques bars dans un environnement sévère (oxydation, carburation, cokage, …). Les dévelop…