The effects of electron and hole transport layer with the electrode work function on perovskite solar cells with the interface defects were simulated by using analysis of microelectronic and photonic structures-one-dimensional (AMPS-1D) software. The simulation results suggest that TiO2 electron transport layer provides best device performance with conversion efficiency of 25.9% compared with ZnO and CdS. The threshold value of back electrode work function for Spiro-OMeTAD, NiO, CuI and Cu2O hole transport layer are calculated to be 4.9, 4.8, 4.7 and 4.9 eV, respectively, to reach the highest conversion efficiency. The mechanisms of device physics with various electron and hole transport materials are discussed in details. The device performance deteriorates gradually as the increased density of interface defects located at ETM/absorber or absorber/HTM. This research results can provide helpful guidance for materials and metal electrode choice for perovskite solar cells.

n-MoS2/p-Si heterojunction solar cells were simulated by using Analysis of Microelectronic and Photonic Structures (AMPS-1D) software. In order to fundamentally understand the mechanism of such kind of cells, the effects of electron affinity, band gap and thickness for MoS2, as well as the donor concentration in Si layer on the devices performance were simulated and discussed in detail. The effects of defect states in Si layer and at n-MoS2/p-Si interface on the performance of devices were also simulated. It is demonstrated that two-dimensional monolayer MoS2 with the highest band gap of 1.8 eV is the optimized option for ideal devices which can give out the highest efficiency over 19.0%. Si layer with higher acceptor concentration is more likely to be recommended in achieving higher power conversion efficiency if defect level can be effectively controlled. The defect states in Si layer and at MoS2/Si interface were identified to influence the performance of the devices significantly.

Delafossite CuFeO[Formula: see text] thin films were fabricated on quartz substrate using radio-frequency sputtering deposition under low O2 flow ratios from 9% to 0% at room temperature. The as-deposited films were in amorphous phase and crystallized into rhombohedral 3R (R3m) delafossite structure after post annealing at 900[Formula: see text]C for 2 h in flowing N2 atmosphere. SEM images showed that the films were composed of nano-sized crystallized grains, thin film composed of smoother surface and higher oxygen content was obtained under higher oxygen percentage in sputtering gas. The optical transmission spectra of these films were studied in the wavelength range 200–1500 nm and the results revealed a narrowing trend of direct bandgap from 3.09 eV to 2.98 eV with the decrease of oxygen flow ratio during deposition. All of the post-annealed CuFeO[Formula: see text] thin films exhibited p-type conductivity and linear ohmic contact feature with Cu electrodes. The carrier concentration of thin films increased from [Formula: see text] to [Formula: see text] whereas the carrier mobility decreased from [Formula: see text] to [Formula: see text] as the oxygen flow ratio reduced from 9% to 0%. The ability of controlling compound composition enables tuning of carrier concentration and mobility in CuFeO[Formula: see text] and offering essential technical basis in engineering photoelectronic devices.