The physical adsorption of hydrogen sulfide and carbon dioxide gases on the zigzag (5,0) carbon nanotubes doped with nitrogen was investigated through the application of B3LYP/6-31G* at the level of theory on Gaussian 03 software. A variety of stable and high abundance structures of nitrogen doped carbon nanotubes were considered in order to study the interaction between the mentioned gases in ...

In amorphous/crystalline silicon heterojunction solar cells, an inversion layer is present at the front interface. By combining numerical simulations and experiments, we examine the contribution of the inversion layer to lateral transport and assess whether this layer can be exploited to replace the front transparent conductive oxide (TCO) in devices. For this, heterojunction solar cells of dif...

The first priority in designing a strategy to control nitrogen oxides is to protect human health. Human health impacts appear to be related to peak exposures to nitrogen oxides (NOx). In addition to potentially damaging human health, nitrogen oxides are precursors to ozone (O3) formation, which can harm human health and vegetation. Finally, nitrogen oxides contribute to acid deposition, which d...

Substantial efforts have recently been made toward integrating more processes to improve ecosystem model performances. However, model uncertainties caused by new processes and/or data sets remain largely unclear. In this study, we explore uncertainties resulting from additional nitrogen (N) data and processes in a terrestrial ecosystem (TECO) model framework using a data assimilation system. Th...

In the title mol-ecule, C(17)H(21)FN(2)S, the mean planes of the benzene ring and the thio-urea fragment form a dihedral angle of 61.93 (9)°. In the crystal, pairs of weak N-H⋯S inter-actions link the mol-ecules, forming inversion dimers.

In the title compound, C(12)H(12)ClF(3)N(2)OS, the dihedral angle between the benzene ring and the thio-urea fragment is 69.41 (5)°. The thio-urea N-H atoms adopt an anti conformation, such that one of them forms an intra-molecular N-H⋯O hydrogen bond, generating an S(6) ring. In the crystal, both N-H groups form inversion dimers, one via a pair of N-H⋯S hydrogen bonds and one via a pair of N-H...

We pump low-pressure nitrogen gas with ionizing femtosecond laser pulses at 1.5 μm wavelength. The resulting rotationally excited N2 molecular ions generate directional, forward-propagating stimulated and isotropic spontaneous emissions at 428 nm wavelength. Through high-resolution spectroscopy of these emissions, we quantify rotational population distributions in the upper and lower emission l...

Inversion of magnetic data is an important step towards interpretation of the practical data. Smooth inversion is a common technique for the inversion of data. Physical bound constraint can improve the solution to the magnetic inverse problem. However, how to introduce the bound constraint into the inversion procedure is important. Imposing bound constraint makes the magnetic data inversion a n...

Scanning probe techniques including scanning capacitance microscopy, scanning capacitance spectroscopy, scanning Kelvin probe force microscopy, and atomic force microscopy have been used to assess structure and local electronic properties of Ga-face and N-face p-type GaN and of inversion domain boundaries in p-type GaN. Epitaxial layers of p-type GaN were grown by molecular-beam epitaxy, and by...

Spectroscopic studies of molecular structure can strongly benefit from extending the conventional mid-IR range to the far-IR and THz regions, as low-frequency molecular vibrations provide unique fingerprints and high sensitivity to intra- and intermolecular interactions. In this work, the gas-phase conformer specific far-IR spectra of aminophenol isomers, recorded in the spectral range of 220-8...