Materials Literature
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Incorporation of bismuth (Bi) in dilute quantities in (In)GaAs has been shown to lead to unique electronic properties that can in principle be exploited for the design of high efficiency telecomm lasers. This motivates the development of simple models of the electronic structure of these dilute bismide alloys, which c…
The electronic structures of four semiconductor compounds BaCu2S2, BaCu2Se2, BaAg2S2, and BaAg2Se2 are studied by density functional theory using both semi-local and hybrid functionals. The ionization energies and electron affinities were determined by aligning the electronic states with the vacuum level by calculatin…
The methods of carbon nanotubes (CNTs) growth inside nanoporous materials are among the best candidates to fabricate CNTs with controlled geometrical parameters. We report obtaining CNTs by pyrolysis of sugar water and show that this chemical reaction is better suited for various applications than other known template…
BiFeO3 (BFO) shows both ferroelectricity and magnetic ordering at room temperature, but its ferromagnetic component, which is due to spin canting, is negligible. Substitution of transition-metal atoms such as Co for Fe is known to enhance the ferromagnetic component in BFO. In order to reveal the origin of such magnet…
We develop a new approach to calculate the obtainable limit of photoconversion efficiency of tandem solar cells (SCs) and applied it to SCs with both vertical and lateral designs at AM0 and AM1.5 conditions. To get the maximum efficiency, only radiative recombination has been considered using typical radiative recombi…
A simple phenomenological approach to metal plasticity, including the description of the strain-induced plastic anisotropy, is considered. The advocated approach is exemplified by a two-dimensional rheological analogy. This analogy provides insight into modelling of nonlinear kinematic hardening of Armstrong-Frederick…
Deposition of water on aerosol particles contributes to ice cloud formation in the atmosphere with implications for the water cycle and climate on Earth. The heterogeneous ice nucleation process is influenced by physico-chemical properties of the substrate, but the mechanisms remain incompletely understood. Here, we r…
The conversion of multilayer graphenes into sp^3-bonded carbon films on metal surfaces (through hydrogenation or fluorination of the outer surface of the top graphene layer) is indicated through first-principles computations. The main driving force for this conversion is the hybridization between carbon sp^3 orbitals…
From the exact solution of the Dirac-Weyl equation we find unusual currents j_y running in y-direction parallel to a time-dependent scalar potential barrier W(x,t) placed upon a monolayer of graphene, even for vanishing momentum component p_y. In their sine-like dependence on the phase difference of wave functions, de…
The influence of triaxial in-plane strain on the electronic properties of a hexagonal boron-nitride sheet is investigated using density functional theory. Different from graphene, the triaxial strain localizes the molecular orbitals of the boron-nitride flake in its center depending on the direction of the applied str…
A thermodynamically consistent mathematical model for hydrogen adsorption in metal hydrides is proposed. Beside hydrogen diffusion, the model accounts for phase transformation accompanied by hysteresis, swelling, temperature and heat transfer, strain, and stress. We prove existence of solutions of the ensuing system o…
The performance of supercapacitors is determined by the electrical double layers (EDLs) formed at electrolyte/electrode interfaces. To understand the energy storage mechanism underlying supercapacitors, molecular dynamics (MD) simulations were used to study the capacitive behavior of carbon-based supercapacitors with…
We present detailed multifrequency resonant Raman measurements of potassium graphite intercalation compounds (GICs). From a well-controlled and consecutive in situ intercalation and high-temperature deintercalation approach the response of each stage up to stage VI is identified. The positions of the G and 2D lines as…
Phosphorus-rich carbons (PCs) were prepared by phosphoric acid activation of waste coffee grounds in different impregnation ratios. PCs were characterized by nitrogen and carbon dioxide adsorption and X-ray photoelectron spectroscopy. The results indicate that the activation step not only creates a porous structure, b…
Commercially available carbon nanotubes and nanofibers were analyzed to examine possible relationships between their Brunauer-Emmett-Teller specific surface areas (SSAs) and their physical and chemical properties. Properties found to influence surface area were number of walls/diameter, impurities, and surface functio…
High-resolution electron microscopy covers both the practice and theory of atomic-resolution transmission electron microscopy (TEM) in all its modern forms and applications, with the aim of ‘seeing atoms’ This new edition takes full account of the discovery of aberration correction techniques, which now allow electron…
We have synthesized high-quality, micrometer-sized, single-crystal GeSe nanosheets using vapor transport and deposition techniques. Photoresponse is investigated based on mechanically exfoliated GeSe nanosheet combined with Au contacts under a global laser irradiation scheme. The nonlinearship, asymmetric, and unsatur…
We have studied the optical conductivity of two-dimensional (2D) semiconducting transition metal dichalcogenides using ab initio density functional theory. We find that this class of materials presents large optical response due to the phenomenon of band nesting. The tendency towards band nesting is enhanced by the pr…
With the growth of oil production and transportation, there is greater potential for accidental oil spills. Here we fabricated a robust superhydrophobic and superoleophilic carbon nanotube/poly(dimethylsiloxane)-coated polyurethane sponge for the continuous absorption and expulsion of oils and organic solvents from wa…
Ligand-mediated drug delivery systems have enormous potential for improving the efficacy of cancer treatment. In particular, Arg-Gly-Asp peptides are promising ligand molecules for targeting αvβ3/αvβ5 integrins, which are overexpressed in angiogenic sites and tumors, such as intractable human glioblastoma (U87MG). We…