Materials Literature
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We study the structural and electronic properties of various hafnium sub-oxides HfzO from z = 9 to z = 0.5, by ab initio simulation using Density Functional Theory. The stability of these sub-oxides is studied against monoclinic HfO2. The progressive oxidation of a given HfzO is also envisaged toward stoichiometric Hf…
We consider single particle Schrodinger operators with a gap in the en ergy spectrum. We construct a complete, orthonormal basis function set for the inv ariant space corresponding to the spectrum below the spectral gap, which are exponentially localized a round a set of closed surfaces of monotonically increasing siz…
Time-dependent density-functional theory (TDDFT) often successfully reproduces excitation energies of finite systems, already in the adiabatic local-density approximation (ALDA). Here we show for prototypical molecular materials, i.e., oligothiophenes, that ALDA largely fails and explain why this is so. By comparing T…
We consider the point indentation of a pressurized, spherical elastic shell. Previously it was shown that such shells wrinkle once the indentation reaches a threshold value. Here, we study the behaviour of this system beyond the onset of instability. We show that rather than simply approaching the classical `mirror-bu…
In ReS2, a layer-independent direct band gap of 1.5 eV implies a potential for its use in optoelectronic applications. ReS2 crystallizes in the 1T'-structure, which leads to anisotropic physical properties and whose concomitant electronic structure might host a nontrivial topology. Here, we report an overall evaluatio…
Surface self-assembly of functional molecules or nanoscale building blocks is an effective strategy for the syntheses of advanced materials. Natural cellulose-rich substances have unique macro-to-nano hierarchical structural features. The fabrication of nanoarchitectures, employing specific guest species on the surfac…
Mesoporous and core–shell like (p)CuO–(n)ZnO nanocomposites were prepared using microstructural refinement and solid state reactions, which showed enhanced photochemical and electrochemical performances.
We have investigated the relationship between driving force and rate for interfacial hole transfer from quantum dots (QDs). This relationship is experimentally explored by using six distinct molecular hole acceptors with an 800 meV range in driving force. Specifically, we have investigated ferrocene derivatives with a…
In this study, a superefficiently flame-retardant bioplastic poly(lactic acid) was developed by incorporating gas–solid biphase flame-retardant N, N ′-diallyl- P -phenylphosphonicdiamide (P-AA), into PLA matrix. The flame retardancy of PLA/P-AA was investigated by limiting oxygen index (LOI), vertical burning test (UL…
Either in bulk form, or in atomically thin crystals, layered transition metal dichalcogenides continuously reveal new phenomena. The latest example is 1T'-WTe2, a semimetal found to exhibit the largest known magnetoresistance in the bulk, and predicted to become a topological insulator in strained monolayers. Here we…
Although carbonaceous materials possess long cycle stability and high power density, their low-energy density greatly limits their applications. On the contrary, metal oxides are promising pseudocapacitive electrode materials for supercapacitors due to their high-energy density. Nevertheless, poor electrical conductiv…
in the three oxidation states. In aggregate the data suggests a first-order Jahn-Teller distortion in this compound. The high quality single crystal X-ray structure enables an analysis of the ligand-ligand and ligand-cluster packing interactions that underlie single-crystal formation in thiolate protected metal cluste…
We systematically measure the dielectric function of atomically thin MoS2 films with different layer numbers and demonstrate that excitonic effects play a dominant role in the dielectric function when the films are less than 5-7 layers thick. The dielectric function shows an anomalous dependence on the layer number. I…
The single crystal of M-4-B was obtained by attaching the boron of BH3 to the amine linker between a tetraphenylethylene (TPE) unit and rhodamine B. M-4-B showed a novel sequential tricolor switching from dark blue to bluish-green and to a reddish color upon grinding. The boron atom played a key role in developing the…
Adaptive camouflage in thermal imaging, a form of cloaking technology capable of blending naturally into the surrounding environment, has been a great challenge in the past decades. Emissivity engineering for thermal camouflage is regarded as a more promising way compared to merely temperature controlling that has to…
The versatile characteristic of epoxy and its diversity made it suitable for different industrial applications such as laminated circuit board, electronic component encapsulations, surface coatings, potting, fiber reinforcement, and adhesives. However, the pervasive applications in many high-performance field limited…
Fluorescent nanodots have become increasingly prevalent in a wide variety of applications with special interest in analytical and biomedical fields. The present overview focuses on three main aspects: (i) a systematic description and reasonable classification of the most relevant types of fluorescent nanodots accordin…
Giant electric-field-induced strain of 0.70%, corresponding to a d33 * value of 1400 pm V(-1) , is observed in a lead-free (Bi1/2 Na1/2 )TiO3 -based polycrystalline ceramic. This is comparable to the properties of single crystals. An in situ transmission electron microscopy study indicates that the excellent performan…
The practical application of graphene has still been hindered by high cost and scarcity in supply. It boosts great interest in seeking for low‐cost substitute of graphene for upcoming usage where extremely physical properties are not absolutely critical. The conversion of renewable biomass offers a great opportunity f…
Ces travaux de thèse portent sur le développement d'un revêtement multifonctionnel issu de la voie sol-gel pour la protection anticorrosion et anti-usure de pièces de pompes. Le matériau d'étude est un acier laminé non allié DC04, très sensible à la corrosion et de topographie irrégulière. Il a été démontré la faisabi…