Data on the location of alkaline and alkaline earth ions at RNA from crystallography, spectroscopy and computational modeling are reviewed.

Different nano-sized phases were synthesized using chemical vapor deposition (CVD) processes. The deposition took place on {001} Si substrates at about 1150–1160 °C. The carbon source was thermally decomposed acetone (CH₃)₂CO in a main gas flow of argon. We performed experiments at two ((CH₃)₂CO + Ar)/Ar) ratios and observed that two visually distinct types of layers were deposited after a one-hour deposition process. The first layer type, which appears more inhomogeneous, has areas of SiO₂ (about 5% of the surface area substrates) beside shiny bright and rough paths, and its Raman spectrum corresponds to diamond-like carbon, was deposited at a (CH₃)₂CO+Ar)/Ar = 1/5 ratio. The second layer type, deposited at (CH₃)₂CO + Ar)/Ar = a 1/0 ratio, appears homogeneous and is very dark brown or black in color and its Raman spectrum pointed to defect-rich multilayered graphene. The performed structural studies reveal the presence of diamond and diamond polytypes and seldom SiC nanocrystals, as well as some non-continuously mixed SiC and graphene-like films. The performed molecular dynamics simulations show that there is no possibility of deposition of sp³-hybridized on sp²-hybridized carbon, but there are completely realistic possibilities of deposition of sp²- on sp²- and sp³- on sp³-hybridized carbon under different scenarios.

The chemical interactions of two types of graphite and two types of carbon black (CB) with acetone, toluene, and phenol were studied in order to evaluate the influence of chemical treatment on the structure and morphology of the carbon phases. The experimental treatment of carbon phases was carried out at room temperature for 1 hour. The chemical and phase composition were studied by x-ray photoelectron (XP) and Raman spectroscopies, while the morphology and structure were determined by powder x-ray diffraction, as well as transmission electron microscopy techniques. To shed light on the most probable explanation of the observed results, we performed simulations and calculations of the binding energies of acetone, toluene, and phenol with model carbon phases: a perfect graphene sheet and a defective graphene sheet containing various structural defects (vacancies as well as zigzag and armchair edges). Simulations show that all non-covalent and most covalent coupling reactions are exothermic, with acetone coupling having the higher calorimetric effect. Based on the results of the simulations and the XP spectroscopy measurements, the probable reactions taking place during the respective treatments are outlined. The conducted studies (both theoretical and experimental) show that the treatment of graphite powders and CB with acetone, toluene, or phenol can be used as a preliminary stage of their modification and/or functionalization, including their conversion into graphene-like (defective graphene, reduced graphene oxide, and/or graphene oxide) phases. For example, the treatment of SPHERON 5000 with acetone significantly facilitates their subsequent modification with laser radiation to graphene-like phases.

This work presents a comparative analysis of the results of silicon carbide synthesis through the carbonization of Si (001) and Si (111) substrates in the temperature range 1130–1140 °C. The synthesis involved chemical vapor deposition utilizing thermally stimulated methane reduction in a hydrogen gas stream. The experiments employed an Oxford Nanofab Plasmalab System 100 apparatus on substrates from which the native oxide was removed according to established protocols. To minimize random experimental variations (e.g., deviations from set parameters), short synthesis durations of 3 and 5 min were analyzed. The resultant thin films underwent evaluations through several techniques, including X-ray photoelectron spectroscopy, X-ray diffractometry, optical emission spectroscopy with glow discharge, and transmission electron microscopy. A comparison and analysis were conducted between the results from both substrate orientations.

This study employs ab initio metadynamics to simulate the carbonization of Si(001) surfaces with chemical vapor deposition at a temperature of 1423 K. We reveal the complete reaction mechanism, including the beginning of silicon carbide crystal formation. The existence of surficial native oxide is incorporated into the theoretical model. The mechanism determination includes clarification of all intermediate products and transition states. The free-energy surface of the reaction chain has been found. Carbonization initiates with alkylated surface products and continues with consecutive dehydrogenation steps. Carbon is integrated in the volume, near the crystal surface, only if no covalent interactions with hydrogen atoms remain. The native oxide was not found to prohibit the process of carbonization. The oxygen atoms have certain surface mobility at high temperatures. It was revealed that hypervalency of carbon atoms is possible in transition state structures. The theoretical activation free energy of the rate-determining step was found to be only 166 kJ/mol. This work sheds light on the advantage of the practical use of Si(001) substrates for the synthesis of silicon carbide and Si-O-C glasses using direct carbonization via chemical vapor deposition. We also aim to enable more methodical designs of future synthetic routes and better-informed decisions for experimental investigations.