Classical force fields for molecular simulations of aqueous electrolytes are still controversial. We study alkali and halide ions at the air/water interface using novel non-polarizable force fields that were optimized based on bulk thermodynamics. In qualitative agreement with polarizable force-field simulations, ion repulsion from the interface decreases with increasing ion size. Iodide is eve...

Toward the large-area deposition of MoS2 layers, we employ metal-organic precursors of Mo and S for a facile and reproducible van der Waals epitaxy on c-plane sapphire. Exposing c-sapphire substrates to alkali metal halide salts such as KI or NaCl together with the Mo precursor prior to the start of the growth process results in increasing the lateral dimensions of single crystalline domains by...

A variety of in homogeneously broadened optical and infrared transitions in solids display persistent spectral holes when irradiated with a narrowband laser. In the case of photochemical hole burning, absorption decreases at the laser frequency because the center undergoes an internal chemical change such as bond rearrangement or ionization. 1-3 Nonphotochemical hole burning is thought to occur...

X-ray-absorption ne structure (XAFS) data of RbBr, RbCl and KBr at 30 K and 125 K were measured and analysed. An ionized atom multiple-scattering (MS) calculation and a correlated Debye model were used for tting FEFF5 theory to data. The modiications of FEFF5 necessary to obtain good ts to the data are discussed. The results demonstrate the domination of single-scattering and focusing paths in ...

The F center is the prototype of the excess electron color centers. Although many of the properties of this center are well understood, some interesting questions still remain concerning the nature of its relaxed excited state. The influence of uniaxial stress upon the luminescences has yielded new evidence for the diffuse nature of this state. A contrast will be made of the influence of uniaxi...

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