Doping of simple oxide materials can give rise to new exciting physical and chemical properties and open new perspectives for a variety of possible applications. Here we use density functional theory calculations to investigate the B-, C- and N-doped MgO(001) surfaces. We have found that the investigated dopants induce magnetization of the system amounting to 3, 2 and 1 μB for B, C and N, respe...

Accurate ab initio calculations are performed to investigate the stable isomers of [MgO(3)](+) and its lowest electronic states at both molecular and asymptotic regions. The calculations are done using large basis sets and configuration interaction methods including the complete active space self-consistent field, the internally contracted multi-reference configuration interaction, the standard...

In our previous study, we investigated ammonia-free phosphate-bonded investments using Mg (H2PO4)2 powder. The purpose of the present study was to attempt usage of 50 wt% Mg (H2PO4)2 solution instead of powder. Magnesium oxide (MgO) was prepared as a binder and cristobalite was selected as a refractory. After arranging six kinds of experimental investments (A-F) with different cristobalite/MgO ...

nanocrystalline magnesium oxides were prepared by sol–gel method and were characterized by x-ray diffraction, n2-bet, sem and infrared spectroscopy techniques. the results confirmed the formation of nano- mgo materials with crystallite size in range of 5-20 nm and surface areas of 336-556m2/g. the product has been tested as destructive adsorbent for the decontamination of (2-chloroethyl) ethyl ...

The properties of the interfacial water monolayer on MgO(001) during growth of multilayer ice and, in particular, the dewetting of crystalline ice on MgO(001) are revealed by vibrational sum frequency generation and infrared reflection absorption spectroscopy.

Articles you may be interested in Intrinsic spin noise in MgO magnetic tunnel junctions Appl. Thermal stability and spin-transfer switchings in MgO-based magnetic tunnel junctions with ferromagnetically and antiferromagnetically coupled synthetic free layers Appl.

Flower-like MgO is a highly effective catalyst for the synthesis of dimethyl carbonate through the transesterification method, and coating the catalyst with mesoporous silica significantly enhances the stability of the MgO catalyst.

In the present work we explore via first-principles simulations whether the ligand/cluster/support catalytic complex generated by CO oxidation over silver trimers deposited on the regular MgO(100) surface - i.e. a Ag3/carbonate or Ag3(CO3)/MgO(100) species - can be used as a catalyst in a different reaction: the selective oxidation of NO to NO2 (or NOox). The Ag3(CO3)/MgO(100) complex is first ...

Mechanically robust alginate-based nanofibrous scaffolds were successfully fabricated by electrospinning method to mimic the natural extracellular matrix structure which benefits development and regeneration of tissues. Alginate-based nanofibres were electrospun from an alginate/poly(vinyl alcohol) (PVA) polyelectrolyte complex. SEM images revealed the spinnability of the complex composite nano...