Schematic diagram of the influence of GO on bacteria and antibiotics.

We use first-principles DFT and hybrid DFT calculations to investigate the formation of native defects and transition-metal (Mn, Fe, Co, and Ni) doping in zinc-blende CdS and their effect on the electronic structures. Our results reveal that Cd vacancies, S vacancies, interstitial Cd, and interstitial S are dominant native defects, in good agreement with experimental results. Except interstitial S, other native defects do not contribute to visible light absorption. Transitionmetal dopants tend to substitute a lattice Cd atom under S-rich conditions and occupy a tetrahedral interstitial site under p-type and Cd-rich conditions. The doping becomes difficult with increasing the atomic number of the transition metal. Co doping does not contribute to visible light absorption. Mn, Fe, and Ni doping, especially interstitial Ni doping, is able to narrow the band gap, and thus, these transition metals are good dopant candidates to tailor the visible light absorption property of nanosized CdS photocatalysts.

An increase of the Zn-ion hybrid SC performance by carbon surface chemistry through the pseudocapacitance induced by proton transfer.

Single-crystalline CrSi(2) nanostructures with a unique hexagonal nanoweb morphology have been successfully synthesized for the first time. These nanowebs span 150-200 nm and are composed of <112̅0> nanowire segments with a thickness of 10-30 nm. It is proposed that surface charges on the {101̅0} sidewalls and the minimization of electrostatic energy induce the nanoweb formation. Calculations of the electrostatic energies were used to predict the transitions between different modes of bending, which agreed well with the experimental observations.

In this paper, we investigate the electric field effect on epitaxial Pr 0.65 (Ca 0.75 Sr 0.25 ) 0.35 MnO 3 thin films in electric double-layer transistors. Different from the conventional transistors with semiconducting channels, the sub(micrometer)-scale phase separation in the manganite channels is expected to result in inhomogeneous distribution of mobile carriers and local enhancement of electric field. The field effect is much larger in the low-temperature phase separation region compared to that in the high-temperature polaron transport region. Further enhancement of electroresistance is achieved by applying a magnetic field, and a 250% modulation of resistance is observed at 80 K, equivalent to an increase of the ferromagnetic metallic phase fraction by 0.51%, as estimated by the general effective medium model. Our results illustrate the complementary nature of electric and magnetic field effects in phase-separated manganites, providing insights on such novel electronic devices based on complex oxides.

A series of Zn x Cd 1Àx S photocatalysts were synthesized via a solvothermal method using ethylenediamine (EDA) as the solvent. The structural, optical and morphological properties have been investigated extensively by various analytical techniques. It has been found that Zn x Cd 1Àx S (x r 0.5 in the precursor) nanorods and nanoparticles can be formed as good homogeneous solid solutions. During the synthesis process, EDA played an important dual role as the solvent and the coordinating agent, which contributed to the formation of nanosized Zn x Cd 1Àx S solid solutions. Efficient hydrogen production from the aqueous solution containing S 2À and SO 3 2À sacrificial reagents was observed over these photocatalysts under visible light irradiation (l Z 420 nm) in the absence of any expensive metal components and co-catalysts. The highest photocatalytic activity for hydrogen production was obtained over Zn 0.5 Cd 0.5 S with a rate of 1097 mmol h À1 and the corresponding quantum efficiency of 30.4% at 420 nm. These values are much higher than those previously reported for Zn-Cd binary sulfide photocatalysts. The excellent photocatalytic performance can be attributed to the efficient visible light absorption and the suitable band structure due to the formation of solid solutions.

Electronic spin transport through (CpFeCpV) n multidecker wire sandwiched between magnetic nickel (Ni) electrodes is simulated in the linear response regime based on DFT. We studied the effects of the molecule−electrode contact and molecule wire length on its spin filter behavior. The amplitude and the sign of the spin filter efficiency can be manipulated by choosing the contact condition (e.g., anchoring groups, absorbing positions on Ni electrodes surface). The performance of the spin filter can be further manipulated by adjusting the length of the molecule wire. Various ways to realize nearly perfect spin-filter are illustrated.

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