Materials Literature
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It is desirable to realize topological phases in artificial structures by engineering electronic band structures. In this paper, we investigate $(PbTe)_m(SnTe)_{2n-m}$ superlattices along [001] direction and find a robust weak topological insulator phase for a large variety of layer numbers m and 2n-m. We confirm this…
We formulate a predictive theory at the level of forces of activated relaxation in hard-sphere fluids and thermal liquids that covers in a unified manner the apparent Arrhenius, crossover, and deeply supercooled regimes. The alpha relaxation event involves coupled cage-scale hopping and a long-range collective elastic…
(LaNiO${}_{3}$)${}_{n}$/(LaMnO${}_{3}$)${}_{2}$ superlattices were grown using ozone-assisted molecular beam epitaxy, where LaNiO${}_{3}$ is a paramagnetic metal and LaMnO${}_{3}$ is an antiferromagnetic insulator. The superlattices exhibit excellent crystallinity and interfacial roughness of less than one unit cell.…
We use molecular simulation to construct equilibrium phase diagrams for two recently introduced model materials with isotropic, soft-repulsive pair interactions designed to favor diamond and simple cubic lattice ground states, respectively, over a wide range of densities [Jain et al., Soft Matter 9, 3866 (2013)]. We e…
Encapsulation of electronic devices based on organic materials that are prone to degradation even under normal atmospheric conditions with hermetic barriers is crucial for increasing their lifetime. A challenge is to develop ultrabarriers that are impermeable, flexible, and preferably transparent. Another important re…
The atomic and electronic structures of Pd3N, PdN and PdN2 were investigated using ab initio density-functional theory (DFT). We studied cohesive energy vs. volume equation of states (EOS) for a set of reported and hypothetical structures. Obtained data was fitted to a third-order Birch-Murnaghan equation of state (EO…
The internal states or local structures of bulk metallic glass (BMGs) can be well reflected from the changes of density, structural relaxation as well as the elastic constants. With the increasing free volume (FV) content, more local atomic clusters are capable of simultaneous plastic shear at different sites in the m…
Biodegradable poly(lactide)/poly(butylene adipate-co-terephthalate) (PLA/PBAT) blends were prepared by reactive blending in the presence of chain-extenders. Two chain-extenders with multi-epoxy groups were studied. The effect of chain-extenders on the morphology, mechanical properties, thermal behavior, and hydrolytic…
Chirality of plasmonic films can be strongly enhanced by three-dimensional (3D) out-of-plane geometries. The complexity of lithographic methods currently used to produce such structures and other methods utilizing chiral templates impose limitations on spectral windows of chiroptical effects, the size of substrates, a…
Multicomponent reactions are excellent tools to generate complex structures with broad chemical diversity and fluorescent properties. Herein we describe the adaptation of the fluorescent BODIPY scaffold to multicomponent reaction chemistry with the synthesis of BODIPY adducts with high fluorescence quantum yields and…
We propose a kind of chiral metamaterial inspired from the fractal concept. The Hilbert fractal perturbation in the twisted split ring resonator element results in compact metamaterial and breaking mirror symmetry, which readily forms chirality over triple bands. The discrepancy between co-polarization conversion and…
The structure and chemical bonding of the 24-atom boron cluster are investigated using photoelectron spectroscopy and ab initio calculations. The joint experimental and theoretical investigation shows that B24(-) possesses a quasi-planar structure containing fifteen outer and nine inner atoms with six of the inner ato…
The efficacy of chemotherapy is substantially limited by the resistance of cancer cells to anticancer drugs that fluctuates significantly in different patients. Under identical chemotherapeutic protocols, some patients may receive relatively ineffective doses of anticancer agents while other individuals obtain excessi…
Unconventional superconductivity (SC) is said to occur when Cooper pair formation is dominated by repulsive electron-electron interactions, so that the symmetry of the pair wave function is other than an isotropic s-wave. The strong, on-site, repulsive electron-electron interactions that are the proximate cause of suc…
There have been growing evidences for the critical roles of metal-coordination complexes in defining structural and mechanical properties of unmineralized biological materials, including hardness, toughness, and abrasion resistance. Their dynamic (e.g. pH-responsive, self-healable, reversible) properties inspire promi…
Graphene oxide (GO) forms persistent dispersions in aqueous solutions up to concentrations of 0.2 mg mL(-1). Addition of methylene blue (MB) to these aqueous dispersion of GO gives rise to the observation in optical spectroscopy of new absorption bands that are indicative of the formation of MB/GO conjugates. Four new…
Structural rearrangements control a wide range of behavior in amorphous materials, and visualizing these atomic-scale rearrangements is critical for developing and refining models for how glasses bend, break, and melt. It is difficult, however, to directly image atomic motion in disordered solids. We demonstrate that…
We report an investigation of long-range ferromagnetic (FM) ordering in Mn-doped MoS${}_{2}$, MoSe${}_{2}$, MoTe${}_{2}$, and WS${}_{2}$ for Mn concentration less than 5$%$ using density functional theory calculations. The long-range ferromagnetism of Mn spins is mediated by an antiferromagnetic (AFM) exchange between…
Nanomedicine is an emerging form of therapy that focuses on alternative drug delivery and improvement of the treatment efficacy while reducing detrimental side effects to normal tissues. Cancer drug resistance is a complicated process that involves multiple mechanisms. Here we discuss the major forms of drug resistanc…
The present article is a part of the research program to study the combustion of steel in oxygen at high pressure. A fundamental understanding of iron and steel combustion in oxygen is important to the selection and specification of safe materials for oxygen production, storage and transport technologies. In the artic…