No Arabic abstract
We present the observational result of a glycine precursor, methylamine (CH$_3$NH$_2$), together with methanol (CH$_3$OH) and methanimine (CH$_2$NH) towards high-mass star-forming regions, NGC6334I, G10.47+0.03, G31.41+0.3, and W51~e1/e2 using ALMA. The molecular abundances toward these sources were derived using the rotational diagram method and compared with our state-of-the-art chemical model. We found that the observed ratio of CH$_3$NH$_2$/CH$_3$OH is in between 0.11 and 2.2. We also found that the observed CH$_3$NH$_2$/CH$_3$OH ratio agrees well with our chemical model by considering the formation of CH$_3$NH$_2$ on the grain surface via hydrogenation process to HCN. This result clearly shows the importance of hydrogenation processes to form CH$_3$NH$_2$. NGC63343I MM3, where CH$_3$NH$_2$ was not detected in this study and showed CH$_3$NH$_2$/CH$_3$OH ratio of less than 0.02, is clearly distinguished from the other cores.
Dimethylammonium zinc formate (DMAZnF) is the precursor for a large family of multiferroics, materials which display co-existing magnetic and dielectric ordering. However, the mechanism underlying these orderings remains unclear. While it is generally believed that the dielectric transition is related to the freezing of the order-disorder dynamics of the dimethylammonium (DMA+) cation, no quantitative data on this motion are available. We surmise that this is due to the fact that the timescale of this cationic motion is on the borderline of the timescales of experimental techniques used in earlier reports. Using multifrequency EPR, we find that the timescale of this motion is ~ 5 x 10 -9 s. Thus, S-band (4 GHz) EPR spectroscopy is presented as the technique of choice for studying these motional dynamics. This work highlights the value of the lower-frequency end of EPR spectroscopy. The data are interpreted using DFT calculations and provide direct evidence for the motional freezing model of the ferroelectric transition in these metal-organic frameworks with the ABX3 perovskite-like architecture.
Hybrid halide perovskites exhibit nearly 20% power conversion efficiency, but the origin of their high efficiency is still unknown. Here, we compute the shift current, a dominant mechanism of bulk photovoltaic (PV) effect for ferroelectric photovoltaics, in CH$_3$NH$_3$PbI$_3$ and CH$_3$NH$_3$PbI$_{3-x}$Cl$_{x}$ from first principles. We find that these materials give approximately three times larger shift current PV response to near-IR and visible light than the prototypical ferroelectric photovoltaic BiFeO$_3$. The molecular orientations of CH$_3$NH$_3^{+}$ can strongly affect the corresponding PbI$_3$ inorganic frame so as to alter the magnitude of the shift current response. Specifically, configurations with dipole moments aligned in parallel distort the inorganic PbI$_3$ frame more significantly than configurations with near net zero dipole, yielding a larger shift current response. Furthermore, we explore the effect of Cl substitution on shift current, and find that Cl substitution at the equatorial site induces a larger response than does substitution at the apical site.
The bulk single crystals of of low-dimensional magnet (CH$_3$)$_2$NH$_2$CuCl$_3$ (DMACuCl$_3$ or MCCL) are grown by a slow evaporation method with different kinds of solvents, different degrees of super-saturation of solution and different temperatures of solution, respectively. Among three kinds of solvent, methanol, alcohol and water, alcohol is found to be the best one for growing MCCL crystals because of its structural similarity to the raw materials and suitable evaporation rate. The best growth temperature is in the vicinity of 35 $^{circ}$C. The problem of the crystals deliquescing in air has been solved through recrystallization process. The crystals are characterized by means of x-ray diffraction, specific heat and magnetic susceptibility.
We have detected CH$^{+}$ and CH molecular absorption lines from the young compact planetary nebula IC 4997 from high resolution optical spectra. A high-resolution infra-red (H and K bands) spectrum provides detection of H$_2$ emission lines amongst many other lines. The H$_2$ lines provide an excitation temperature of 2100 K which may result from UV fluorescence in the envelope or from shocks formed at the interface between an expanding outflow of ionized gas and the neutral envelope ejected when the star was on the AGB. It is suggested that the CH$^+$ may result from the endothermic reaction C + H$_2$ $rightarrow$ CH$^+$ + H. Intriguingly, CH$^{+}$ and also CH show a higher expansion velocity than H$_{rm 2}$ emission suggesting they may be part of the post-shocked gas.
Instability of perovskite photovoltaics is still a topic which is currently under intense debate, especially the role of water environment. Unraveling the mechanism of this instability is urgent to enable practical application of perovskite solar cells. Here, ab initio metadynamics is employed to investigate the initial phase of a dissolution process of CH$_3$NH$_3$PbI$_3$ (MAPbI$_3$) in explicit water. It is found that the initial dissolution of MAPbI$_3$ is a complex multi-step process triggered by the departure of I$^-$ ion from the CH$_3$NH$_3$I-terminated surface. Reconstruction of the free energy landscape indicates a low energy barrier for water dissolution of MAPbI$_3$. In addition, we propose a two-step thermodynamic cycle for MAPbI$_3$ dissolution in water at a finite concentration that renders a spontaneity of the dissolution process. The low energy barrier for the initial dissolution step and the spontaneous nature of MAPbI$_3$ dissolution in water explain why the water immediately destroys pristine MAPbI$_3$. The dissolution thermodynamics of all-inorganic CsPbI$_3$ perovskite is also analyzed for comparison. Hydration enthalpies and entropies of aqueous ions play an important role for the dissolution process. Our findings provide a comprehensive understanding to the current debate on water instability of MAPbI$_3$.