Materials Literature
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Temperature-dependent dielectric permittivity of lead-free (LixNa1-x)NbO3 for nominal x = 0.04–0.20, prepared by solid state reaction followed by sintering, was studied to resolve often debated issue pertaining to exactness of morphotropic phase boundary (MPB) location besides structural aspects and phase stability in…
We present theoretical calculations for the absorption properties of protein-coated gold nanoparticles on graphene and graphite substrates. As the substrate is far away from nanoparticles, numerical results show that the number of protein bovine serum molecules molecules aggregating on gold surfaces can be quantitativ…
At temperatures well below their glass transition, the deformation properties of bulk metallic glasses are characterized by a sharp transition from elasticity to plasticity, a reproducible yield stress and an approximately linear decrease of this stress with increasing temperature. In the present work, it is shown tha…
Electrical resistivity measurements as a function of temperature between 1 and 300 K were performed at various pressures up to 3 GPa on the superconducting layered compounds $\mathit{Ln}$O${}_{0.5}$F${}_{0.5}$BiS${}_{2}$ ($\mathit{Ln}$ = La, Ce). At atmospheric pressure, LaO${}_{0.5}$F${}_{0.5}$BiS${}_{2}$ and CeO${}_…
We have calculated several low-lying Charge Transfer (CT) excited-state energies for four non-covalently bound dyads composed of a sulfonated-ZnPc coupled to C60. Our results show that the di- and tri-sulfonated systems yield a CT state as the lowest-energy excited state in the system. In contrast, an energy re-orderi…
The evolution of electronic wave packets (WPs) through grain boundaries (GBs) of various structures in graphene was investigated by the numerical solution of the time-dependent Schroedinger equation. WPs were injected from a simulated STM tip placed above one of the grains. Electronic structure of the GBs was calculat…
Correct identification of the Bravais lattice of a crystal is an important step in structure solution. Niggli reduction is a commonly used technique. We investigate the boundary polytopes of the Niggli-reduced cone in the six-dimensional space G6 by algebraic analysis and organized random probing of regions near 1- th…
The Goldstone theorem states that there should be a massless mode for each spontaneously broken symmetry generator. There is no such rotational mode in crystals, however superconducting quantum nematics should carry rotational Goldstone modes. By generalization of thermal 2D defect mediated melting theory into a 2+1D…
Multiferroics with the coexistence of ferroelectric and ferromagnetic orders are ideal candidates for magnetoelectric applications. Unfortunately, only very few ferroelectric-ferromagnetic multiferroics (with low magnetic critical temperature) were discovered. Here we perform first principles calculations to investiga…
A pseudomagnetic field becomes an experimental reality after the observation of zero-field Landau level-like quantization in strained graphene, but it is not expected that the time-reversal symmetric pseudomagnetic fields will have any effect on the spin degree of freedom of the charge carriers. Here, we demonstrate t…
Optical and magneto-optical properties of ZnCoO films grown at low temperature by Atomic Layer Deposition are discussed. Strong wide band absorption, with onset at about 2.4 eV, is observed in ZnCoO in addition to Co-related intra-shell transitions. This absorption band is related to Co 2+ to 3+ photo-ionization trans…
This paper describes an all-electron implementation of the self-consistent GW (sc-GW) approach -- i.e. based on the solution of the Dyson equation -- in an all-electron numeric atom-centered orbital (NAO) basis set. We cast Hedin's equations into a matrix form that is suitable for numerical calculations by means of i)…
BACKGROUND: Use of engineered nanoparticles (NPs) in consumer products is resulting in NPs in drinking water sources. Subsequent NP breakthrough into treated drinking water is a potential exposure route and human health threat. OBJECTIVES: In this study we investigated the breakthrough of common NPs--silver (Ag), tita…
Silicene, the considered equivalent of graphene for silicon, has been recently synthesized on Ag(111) surfaces. Following the tremendous success of graphene, silicene might further widen the horizon of two-dimensional materials with new allotropes artificially created. Due to stronger spin-orbit coupling, lower group…
Borane-amine adducts have received considerable attention, both as vectors for chemical hydrogen storage and as precursors for the synthesis of inorganic materials. Transition metal-catalyzed ammonia-borane (H3N-BH3, AB) dehydrocoupling offers, in principle, the possibility of large gravimetric hydrogen release at hig…
This paper reports a facile solvothermal approach for the design and synthesis of novel crystalline COF nanofibers with amazing properties. An interesting morphological transformation from microsphere to nanofibers was observed, which could be supported by the unique dissolution-recrystallization mechanism due to the…
By employing honeycomb GO with large surface area as the starting materials and using elemental fluorine, we developed a novel, straightforward topotactic route toward highly fluorinated graphene in really large quantities at low temperature. The value of F/C molar ratio approaches to 1.02. Few-layer fluorinated graph…
Hierarchical sulfonated graphene nanosheet/carboxylated multiwalled carbon nanotube/polyaniline (sGNS/cMWCNT/PANI) nanocomposites were synthesized through an interfacial polymerization method. Activated porous graphene (aGNS) was prepared by combining chemical foaming, thermal reduction, and KOH activation. Furthermor…
Since the discovery of the liquid-crystalline state of matter 125 years ago, this field has developed into a scientific area with many facets. This Review presents recent developments in the molecular design and self-assembly of liquid crystals. The focus is on new exciting soft-matter structures distinct from the usu…
We report electronic transport measurements of devices based on monolayers and bilayers of the transition-metal dichalcogenide MoS2. Through a combination of in situ vacuum annealing and electrostatic gating we obtained ohmic contact to the MoS2 down to 4 K at high carrier densities. At lower carrier densities, low-te…