H3PMo12O40 molecules have been successfully encapsulated in the cavities of MIL-100(Fe) via a facile hydrothermal method (denoted as HPMo@MIL-100(Fe)). A series of characterization has corroborated the insertion of H3PMo12O40 within the cavities of MIL-100(Fe). The resulting HPMo@MIL-100(Fe) nanocomposites have exhibited much higher photoactivity than the original-MIL-100(Fe) toward the photoca...

We studied bromine and iodine adsorption on an Fe(100) surface in the temperature range of 110 K to 700 K. In this communication we compare core-level binding energies of dissociatively and molecularly adsorbed halogen species as a function of coverage. Our valence band photoemission data suggest that bromine and iodine adsorption at 300 K is always dissociative. At 110 K, initial dissociative ...

The successful encapsulation of 2,2'-azino-bis(3-ethylbenzthiazoline-6-sulfonic acid) (ABTS), a well-known laccase mediator, within a mesoporous metal-organic framework sample (i.e., MIL-100(Fe)) was achieved using a one-pot hydrothermal synthetic method. The as-prepared ABTS@MIL-100(Fe) was characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD), Fourier transform infrared...

Spin-polarized density functional theory computations have been carried out to study the stable adsorption configurations of Cun (n = 1-7, 13) on Fe and Fe3C surfaces for understanding the initial stages of copper promotion in catalysis. At low coverage, two-dimensional aggregation is more preferred over dispersion and three-dimensional aggregation on the Fe(110) and Fe(100) surfaces as well as...

The bias dependence of the tunnel magnetoresistance TMR of Fe/MgO/Fe tunnel junctions is investigated theoretically with a fully self-consistent scheme that combines the nonequilibrium Green’s-function method with density-functional theory. At voltages smaller than 20 mV the I-V characteristics and the TMR are dominated by resonant transport through narrow interface states in the minority-spin ...