Preparation of N-TiO2/SiO2 composites by solvothermal method and their photocatalytic properties

In order to improve the visible light catalytic activity of titanium dioxide (TiO2) and ensure its long-term stability on the surface of concrete, an N-TiO2/SiO2 composite was prepared using tetrabutyl titanate, nitric acid, and modified SiO2 nanospheres as the precursors by a solvothermal method. The effect of nitric acid on the phase composition, morphology and photoelectric properties of the synthesized photocatalytic composites was systematically studied by various characterization methods. The results show that the optimum nitric acid/butyl titanate volume ratio is 1/6. The nitrogen-doped TiO2 nanoparticles were uniformly dispersed on the surface of spherical SiO2 with a diameter of 200 nm. The degradation rate of simulated pollutants (RhB) with pH 5 and 7 exceeded 95% within 30 minutes and the catalytic effect remained excellent after five repetitions without much weakening. The excellent visible photocatalytic performance can be attributed to the doping of N replacing part of the oxygen atoms in TiO2, forming the energy level of N 2p at the O 2p energy level and reducing the TiO2 energy band gap to 2.99 eV. At the same time, the better dispersion of N-TiO2/SiO2 prepared by this new synthesis method also plays an important role in the improvement of visible light photocatalytic activity.

DFT and TD-DFT Studies of 1,3,5-Tris (Dipheny1amino) Benzene Derivatives Based Hole Transport Materials: Application for Perovskite Solar Cells

The current study examined a series of 1,3,5-tris (diphenylamino) benzene derivatives used as hole transport materials in perovskite solar cells (HTM1-HTM9). DFT and TD/DFT with the B3LYP/6-311G basis set used for all calculations. The ground state geometry, frontier molecular orbital (FMO), photoelectric properties and reorganization energies and the absorption spectra were investigated. The energy levels of HOMO and LUMO orbitals were calculated for HTM1-HTM9, compared to all of the compounds under investigation and the spiro-OMeTAD, HTM 8 has the lowest HOMO energy level, indicating a favourable overlap with the MAPbI3 perovskite active layer.

Influence of Mn, Fe, Co, and Cu Doping on the Photoelectric Properties of 1T HfS2 Crystals

Doping plays a vital role in the application of transition-metal dichalcogenides (TMDCs) because it can increase the functionality of TMDCs by tuning their native characteristics. In this study, the influence of Mn, Fe, Co, and Cu doping on the photoelectric properties of HfS2 was investigated. Pristine, Mn-, Fe-, Co-, and Cu-doped HfS2 crystals were grown using the chemical vapor transport method. Scanning electron microscopy images showed that the crystals were layered and transmission electron microscopy, X-ray diffraction, and Raman spectroscopy measurements confirmed that the crystals were in the 1T-phase with a CdI2-like structure. The bandgap of pristine HfS2 obtained from the absorption and photoconductivity spectra was approximately 1.99 eV. As the dopant changed from Mn, Fe, and Co, to Cu, the bandgap gradually increased. The activation energies of the samples were determined using temperature-dependent current-voltage curves. After doping, the activation energy decreased, and the Co-doped HfS2 exhibited the smallest activation energy. Time-resolved photoresponse measurements showed that doping improved the response of HfS2 to light; the Co-doped HfS2 exhibited the best response. The photoresponsivity of HfS2 as a function of the laser power and bias voltage was measured. After doping, the photoresponsivity increased markedly; the Co-doped HfS2 exhibited the highest photoresponsivity. All the experimental results indicated that doping with Mn, Fe, Co, and Cu significantly improved the photoresponsive performance of HfS2, of which Co-doped HfS2 had the best performance.

Surface-barrier structures based on solid solutions (In 2 S 3 ) х •(AgIn 5 S 8 ) 1–х

Single crystals of solid solutions (In2S3)x⋅ (AgIn5S8)1–x were grown by the method of directional crystallization of the melt (Bridgman method). Studies of the elemental composition and crystal structure of these single crystals have been carried out. On the basis of solid solutions (In2S3)x⋅ (AgIn5S8)1–x, photosensitive structures have been created for the first time and the photoelectric properties of these structures have been determined. The possibility of using the created structures as broadband photoconverters of optical radiation is shown.

Two-Dimensional Nanomaterials for Boosting the Performance of Organic Solar Cells

The thin-film organic solar cells (OSCs) are currently one of the most promising photovoltaic technologies to effectively harvest the solar energy due to their attractive features of mechanical flexibility, light weight, low-cost manufacturing, and solution-processed large-scale fabrication, etc. However, the relative insufficient light absorption, short exciton diffusion distance, and low carrier mobility of the OSCs determine the power conversion efficiency (PCE) of the devices are relatively lower than their inorganic photovoltaic counterparts. To conquer the challenges, the two-dimensional (2D) nanomaterials, which have excellent photoelectric properties, tunable energy band structure, and solvent compatibility etc., exhibit the great potential to enhance the performance of the OSCs. In this review, we summarize the most recent successful applications of the 2D materials, including graphene, black phosphorus, transition metal dichalcogenides, and g-C3N4, etc., adapted in the charge transporting layer, the active layer, and the electrode of the OSCs, respectively, for boosting the PCE and stability of the devices. The strengths and weaknesses of the 2D materials in the application of OSCs are also reviewed in details. Additionally, the challenges, commercialization potentials, and prospects for the further development of 2D materials-based OSCs are outlined in the end.