Materials Literature
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In this study, we present a theoretical investigation of structural, electronic, and mechanical properties of pentagonal monolayers of carbon (p-graphene), boron nitride (p-B2N4 and p-B4N2), and silver azide (p-AgN3) by performing state-of-the-art first principles calculations. Our total energy calculations suggest fe…
The symmetry breaking of inversion in solid crystals will induce electric polarization in all solid crystals, which is well known as flexoelectricity. At the nanometer scale, due to the large ratio of surface to volume, piezoelectric structures always exhibit distinct mechanical and electrical behaviors compared with…
Thermoelectrochemical cells are increasingly promising devices for harvesting waste heat, offering an alternative to the traditional semiconductor-based design. Advancement of these devices relies on new redox couple/electrolyte systems and an understanding of the interplay between the different factors that dictate d…
Gate dielectrics directly affect the mobility, hysteresis, power consumption, and other critical device metrics in high-performance nanoelectronics. With atomically flat and dangling bond-free surfaces, hexagonal boron nitride (h-BN) has emerged as an ideal dielectric for graphene and related two-dimensional semicondu…
A novel two-dimensional (2D) coordination polymer, [Co(ppad)2]n (1), resulted from the assembly of Co(II) ions based on a versatile ligand termed N(3)-(3-pyridoyl)-3-pyridinecarboxamidrazone. Alternating/direct-current magnetic studies of compound 1 indicate that the spatially separated high-spin Co(II) ions act as si…
Motivated by the properties of the iron chalcogenides, we study the phase diagram of a generalized Heisenberg model with frustrated bilinear-biquadratic interactions on a square lattice. We identify zero-temperature phases with antiferroquadrupolar and Ising-nematic orders. The effects of quantum fluctuations and inte…
High concentration of heavy metals and microbes present in water can reduce the quality of water and bring serious side effects to human beings. Their removal from water is of great importance. In this study, MgO microspheres with hierarchical morphology have been synthesized by a facile and low-cost precipitation-agi…
We investigated whether Aluminum (Al) doping tunes band gap energy level as well as selective cytotoxicity of ZnO nanoparticles in human breast cancer cells (MCF-7). Pure and Al-doped ZnO nanoparticles were prepared by a simple sol-gel method. Characterization study confirmed the formation of single phase of Al(x)Zn(1…
Generating electron coherence in quantum materials is essential in optimal control of many-body interactions and correlations. In a multidomain system this signifies nonlocal coherence and emergence of collective phenomena, particularly in layered 2D quantum materials possessing novel electronic structures and high ca…
Due to their excellent biodegradability characteristics, Mg and Mg-based alloys have become an emerging material in biomedical implants, notably for repair of bone as well as coronary arterial stents. However, the main problem with Mg-based alloys is their rapid corrosion in aggressive environments such as human bodil…
A review on the recent developments of boron based shape and stimuli sensitive functional luminescent materials is presented.
Plasmonic excitation of Au nanoparticles deposited on a MoS2 monolayer changes the absorption and photoluminescence characteristics of the material. Hot electrons generated from the Au nanoparticles are transferred into the MoS2 monolayers, resulting in n-doping. The doping effect of plasmonic hot electrons modulates…
Quantum capacitance has been recently measured for electric double layers (EDL) at electrolyte/graphene interfaces. However, the importance of quantum capacitance in realistic carbon electrodes is not clear. Toward understanding that from a theoretical perspective, here we studied the quantum capacitance and total cap…
We demonstrate, using first-principles calculations, that the electronic structure of ${\mathrm{FeSe}}_{1\ensuremath{-}x}{\mathrm{Te}}_{x}\phantom{\rule{0.28em}{0ex}}(x=0.5)$ is topologically nontrivial and characterized by an odd ${\mathbb{Z}}_{2}$ invariant and Dirac cone type surface states, in sharp contrast to th…
Monolayer graphene exhibits many spectacular electronic properties, with superconductivity being arguably the most notable exception. It was theoretically proposed that superconductivity might be induced by enhancing the electron-phonon coupling through the decoration of graphene with an alkali adatom superlattice [Pr…
Valleys in monolayer transition-metal dichalcogenides seamlessly connect two basic carriers of quantum information, namely, the electron spin and photon helicity. Lifting the valley degeneracy is an attractive route to achieve further optoelectronic manipulations. However, the magnetic field only creates a very small…
High Resolution Image Download MS PowerPoint Slide Anatase TiO 2 -supported manganese and cobalt oxide catalysts with different Co/Mn molar ratios were synthesized by a conventional impregnation method and used for selective catalytic reduction (SCR) of NO x with NH 3 . The catalysts were characterized by N 2 adsorpti…
Seven cycles of antibacterial tests were performed on silver‐containing activated carbon fibers derived from liquefied wood (WACF/Ag) to investigate the variations of their antibacterial activity and silver characteristics. The results showed that all the WACF/Ag had the excellent antibacterial durability. Less silver…
A series of ion storage experiments on small carbon cluster anions was conducted to understand size-dependent cooling processes. The laser-induced delayed electron detachment time profile show clear even/odd alternation due to the presence of the electronic cooling. The time evolution of the internal energy distributi…
For the future realization of nanoelectronic devices using domain walls (DWs) in ferroelectric thin films as a functional element, the artificial introduction and position control of DWs in BiFeO 3 (BFO) thin films using SrTiO 3 bicrystal substrates are demonstrated. The BFO thin film follows the bicrystal nature of S…