The morphology of porous Pt nanodendrites were obtained by a transmission electron microscopy (TEM) (TecnaiG220, FEI, American) equipped with a Gatan CCD794 camera operated at 200 KV. High-resolution TEM (HRTEM), Energy dispersive X-ray (EDX) of a single nanohybrid (TEM-EDX) and SAED were...
transformations result in gradually increased bandgap, which is confirmed by scanning electron microscope cathodoluminescence (SEM-CL) experiments and validated by density functional theory (DFT) calculations. The direct visualization of the structure and degradation process at the atomic scale provides valuab...
The QTAIM study has revealed in 2 a number of p center dot center dot center dot pi interactions between lone pairs of chlorine atoms and delocalized electron density of phenyl rings or C=N groups of acetonitrile molecules, and the strongest of them (0.9 kcal/mol) has been reflected in ...
The proper selection of electron donors and acceptor is crucial to deriving a systematic understanding of the nature of the bonding. In the Lewis acid, sufficiently potent electron-withdrawing substituents must be attached to the pnicogen atom to ensure the presence of regions of positive potential t...
Cl and C–H…Cl bonding as strong as 2.5 and 2.1kcal/mol, respectively. The QTAIM study has revealed in2a number of p…π interactions between lone pairs of chlorine atoms and delocalized electron density of phenyl rings or CN groups of acetonitrile molecules, and the strongest of them (...
The organic–inorganic hybrid perovskite compounds have been extensively studied since the dawn of a new era in the field of photovoltaic applications. Up to now, perovskites have proven to be the most promising in terms of power conversion efficiency; h
Inset: SOC-DFT plot of the electron density associated to the highest occupied state of MASnI3 at the C point of the Brilluoin zone. MAPbI3, the absorption spectrum of MASnI3 shows a red-shift (in line with the reduced band-gap) and increased intensity, Figure 3. Recently, Even et ...
For both title compounds, there are no indications for a rotational disorder of the ammonia ligands, prohibited by an involvement in hydrogen bonding networks. Table 7. Donor–acceptor distances (pm) and angles (deg.) in [Zn2(NH3)2(NH2)]Br. Arrangement N(1)–H(1A) . . . Br N(1)...
electron microscopy was used to examine the surface morphology of Ce-BTC, Mo(MnO4)5, and Mo(MnO4)5@Ce-BTC (with an accelerating voltage of around 20 kV FE-SEM QUANTA FEG250, Republic of Czech). Using a FE-SEM model (AMETA version) and energy dispersive X-ray (EDAX) analysis, the ...
Despite a large number of candidates and decades of research into new materials, silicon is still by far the dominant compound in the solar cell industry [1,2,3]. One of the alternatives for silicon is the class of the so-called hybrid perovskites e.g., CH3NH3PbHal3 (Hal = I, Br)...