Analysis of chemical structure and characteristics of building materials based on element chemistry

Elements in accordance with a certain proportion and spatial arrangement constitute the microstructure of the building materials, which lead to a specific property and function in the macro. From the perspective of element chemistry, we divide common building materials into three categories: silicon-based building materials, carbon-based building materials and iron-based building materials. Then, with the knowledge of valence electron structure and electronic configuration, we systematically expound the three-element building materials system. According to that division mode, we explain the microstructural causes and macroscopic properties of the three-element building materials system through the valence bond theory, so as to provide references for the development and application of building materials.

Facile Fabrication of SrTiO3@MoS2 Composite Nanofibers for Excellent Photodetector Application

Molybdenum disulfide (MoS2), as a kind of transition metal dichalcogenide, has been widely studied for its excellent compatibility with most of inorganic nanomaterials. Nevertheless, its microscale and agglomeration limit the performance severely. Therefore, the special structure of V-MoS2 has drawn a lot of interest, which can not only reduce the size of MoS2 nanosheets but also improve the valence electron structure of the materials. In this work, SrTiO3@MoS2 composite nanofibers were synthesized by the simple electrospinning and hydrothermal method, and it was applied as a novel material for photodetector. SEM, TEM, EDX, XRD, I-T curves, and EIS analysis were used to study the structure and properties of the prepared SrTiO3@MoS2 composite nanofibers. Simulating under sunlight at a potential of 1.23 V, the prepared composite materials exhibited a superior photoelectric performance of photocurrent density of 21.4 μA and a resistance of 2.3 Ω. These results indicate that the composite of SrTiO3 nanofiber adhered with V-MoS2 has a stable composite structure, good electrical conductivity, and photoelectric sensitivity and is a suitable material for photodetectors. This work provides new ideas for the preparation of self-assembled materials and their application in photodetectors.

The Influence of B, N and Si Doping on the CH3 Adsorption on the Diamond Surface Based on DFT Calculations

To better understand the influence mechanism of boron, nitrogen and silicon dopants on the growth of chemical vapor deposition (CVD) diamond film, density functional calculations have been performed to reveal the different impact of the impurities on the CH3 adsorption on diamond surface. The substituted doping and radical doping of diamond (111) and (100) − 2 × 1 surface are both considered. The calculation results indicate that the CH3 radicals are hardly adsorbed on nitrogen atoms and thus may cause vacancy in the diamond lattice easily. Boron substituted doping will disfavor the adsorption of CH3 due to the lacking of valence electron. However, the empty p orbitals of boron atom will help the chemical adsorbing of CH3 radicals. The substituted silicon doping has little influence on the CH3 adsorption, as Si atom has the same outer valence electron structure with C atom. In the case of radical doping, the adsorption energy of CH3 will be reduced due to the steric hindrance between NH2 or SiH3 with CH3. The adsorption energy can be slightly enhanced when BH2 radical is pre-adsorbed on diamond (111) surface. However, the BH2 pre-adsorbed on diamond (100) − 2 × 1 surface may interact with surface radical carbon site and result in a large reduction of CH3 adsorption energy. Thus, the boron doping may hinder the formation of the (100) facet during the CVD diamond deposition under a certain condition.