Micro-/macroscopic and density functional studies of the interactions between molybdenum trioxide and C molecule.

We have investigated the interactions between C and (MoO) using scanning tunneling microscopy with spectroscopy (STM/STS) and ex situ ultraviolet-visible-near-infrared (UV-vis-NIR) spectroscopy in combination with density functional theory (DFT) calculations. The formation of (MoO) chemically bound to C is energetically favorable due to ΔG < 0 for n = 1, 2, 4, 6, 8, and 9, and they well reproduced the histogram of the height of (MoO) on the C (111) terrace obtained by a STM height-profile. STS results demonstrated the upward energy shift of both highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) of C in the vicinity of (MoO) (n = 6 or 9), which is consistent with the previous results of the co-deposited C/MoO film obtained using photoemission and inverse photoemission spectroscopy [Wang and Gao, Appl.

The uptake mechanism of palladium ions into Prussian-blue nanoparticles in a nitric acid solution toward application for the recycling of precious metals from electronic and nuclear wastes.

We have investigated the uptake mechanism of palladium (Pd: one of the most important elements in industry used as a catalyst) ions into Prussian-blue nanoparticles (PBNPs) in a nitric acid solution high-resolution electron transmission microscopy, inductively coupled plasma atomic emission spectroscopy, powder X-ray diffraction, and ultraviolet-visible-near infrared spectroscopy in combination with first principles calculations. Comparison of the structural and electronic properties of PBNPs between before and after a 24 h sorption test reveals that the Pd ions incorporated into PBNPs by the substitution of Fe ions of the PB framework while maintaining the crystal structure, and the substitution efficiency is estimated to be 87% per PB unit cell. This implies that 0.

The uptake characteristics of Prussian-blue nanoparticles for rare metal ions for recycling of precious metals from nuclear and electronic wastes.

We have examined the uptake mechanisms of platinum-group-metals (PGMs) and molybdenum (Mo) ions into Prussian blue nanoparticles (PBNPs) in a nitric acid solution for 24-h sorption test, using inductively coupled plasma atomic emission spectroscopy, powder XRD, and UV-Vis-NIR spectroscopy in combination with first-principles calculations, and revealed that the Ru and Pd ions are incorporated into PBNPs by substitution with Fe and Fe ions of the PB framework, respectively, whereas the Rh ion is incorporated into PBNPs by substitution mainly with Fe and minorly with Fe ion, and Mo ion is incorporated into PBNPs by substitution with both Fe and Fe ions, with maintaining the crystal structure before and after the sorption test. Assuming that the amount of Fe elusion is equal to that of PGMs/Mo substitution, the substitution efficiency is estimated to be 39.0% for Ru, 47.

Resolving Site-Specific Energy Levels of Small-Molecule Donor-Acceptor Heterostructures Close to Metal Contacts.

The active material of optoelectronic devices must accommodate for contacts which serve to collect or inject the charge carriers. It is the purpose of this work to find out to which extent properties of organic optoelectronic layers change close to metal contacts compared to known properties of bulk materials. Bottom-up fabrication capabilities of model interfaces under ultrahigh vacuum and single-atom low temperature (LT)-STM spectroscopy with density functional theory (DFT) calculations are used to detect the spatial modifications of electronic states such as frontier-orbitals at interfaces.

Morphological and optical properties of α- and β-phase zinc (∥) phthalocyanine thin films for application to organic photovoltaic cells.

We have investigated the morphological and optical properties of α- and β-phase Zinc Phthalocyanine (ZnPc) thin films for application to organic photovoltaic cells (OPVs). It was found that the α-phase is completely converted to the β-phase by thermal annealing at 220 °C under ultrahigh vacuum conditions. When the α- to β-phase transition takes place, the surface roughness of the ZnPc film became flat uniformly with a nanometer order of unevenness by anisotropic growth of crystalline grains along a lateral direction to substrates.

Bilateral Internal Carotid and Left Vertebral Artery Dissection after Blunt Trauma: A Case Report and Literature Review.

Multi-vessel cervical arterial injury after blunt trauma is rare, and its pathophysiology is unclear. Although blunt cerebrovascular injury is a common cause of cerebral ischemia, its management is still controversial. We describe a 23-year-old man in previously good health who developed three-vessel cervical arterial dissections due to blunt trauma.

Spectroscopic and theoretical studies on the structural, electronic, and optical properties of zinc octaethylporphyrin/C co-deposited films.

We have examined the structural, electronic, and optical properties of zinc-octaethylporphyrin [Zn(OEP)]/C co-deposited films to elucidate the donor (D)-acceptor (A) interactions at the D/A interface of heterojunction organic solar cells (OSCs), using Fourier-transform infrared (FT-IR) spectroscopy, X-ray diffraction (XRD), ultraviolet-visible (UV-vis) spectroscopy, and photoluminescence (PL) spectroscopy in combination with first-principles and semi-empirical calculations. The FT-IR and XRD results indicated that Zn(OEP) and C were mixed with each other at the molecular level in the co-deposited film. The theoretical calculations suggested that in the interfacial region, it is energetically preferable for the C molecule to face the center of the planar structure of Zn(OEP) at a distance of 2.

[H(x)TeV9O28]((5-x)-) (x=1 and 2): vanadotellurates with decavanadate structure.

Two new vanadotellurates, [HTeV(9)O(28)](4-) and [H(2)TeV(9)O(28)](3-) have been synthesized and structurally characterized as tetra-n-butylammonium (TBA) salts: TBA(4)[HTeV(9)O(28)]·2CH(3)CN [triclinic, space group P ̅1, a = 16.7102(6) Å, b = 17.4680(7) Å, c = 17.