Sharif Digital Repository

Effective masses are calculated for a large variety of perovskites of the form ABX3 differing in chemical composition (A= Na, Li, Cs; B = Pb, Sn; X= Cl, Br, I) and crystal structure. In addition, the effects of some defects and dopants are assessed. We show that the effective masses are highly correlated with the energies of the valence-band maximum, conduction-band minimum, and band gap. Using the k·p theory for the bottom of the conduction band and a tight-binding model for the top of the valence band, this trend can be rationalized in terms of the orbital overlap between halide and metal (B cation). Most of the compounds studied in this work are good charge-carrier transporters, where the... 

Effective masses are calculated for a large variety of perovskites of the form ABX3 differing in chemical composition (A= Na, Li, Cs; B = Pb, Sn; X= Cl, Br, I) and crystal structure. In addition, the effects of some defects and dopants are assessed. We show that the effective masses are highly correlated with the energies of the valence-band maximum, conduction-band minimum, and band gap. Using the k·p theory for the bottom of the conduction band and a tight-binding model for the top of the valence band, this trend can be rationalized in terms of the orbital overlap between halide and metal (B cation). Most of the compounds studied in this work are good charge-carrier transporters, where the... 

Core/shell structure of ZnO nanowires coated with a monolayer of TiO 2 is investigated using Density Functional Theory (DFT). The electronic states of the semiconductor is calculated and compared before and after coating of the TiO2 monolayer on a ZnO [101 0] surface. The effect of TiO2 coating induce surface states changes and shifts the conduction and valence band edges to higher energies. Our results, in qualitative agreement with the experimental work of Matt Law et al. (J. Phys. Chem. B, 110, 22652), show an increase in open circuit voltage and a decrease in short circuit current in ZnO/TiO2 core shell dye sensitized solar cells. Regarding the semiconductor density of states (DOS), TiO2... 

In this research MPA capped CdTe nanocrystals with sizes around 2.7-3.5 nm were grown in aqueous solution. The process was performed through the reaction of NaHTe with MPA and CdCl2 solution in high temperature. The synthesis was carried out in two different states of standard and modified forms. In the modified synthesis, the hydrazine hydrate material was added to the MPA plus CdCl2 solution before injection. The evolution of the nanocrystals size and PL quantum yield was monitored during the heating time for the growth. The results demonstrated that for the standard synthesis the growth rate was slow. The CdTe nanocrystals with high PL quantum yields were achieved in more than 10 h of... 

A fiber Bragg grating (FBG)-based delay line (or phase shifter) has been developed for microwave over fiber and phased array antenna (PAA) applications. The scheme uses band edge time delay of tunable fiber gratings to provide a continuously controllable microwave time delay or phase shift. Following the formulation and analysis of the device behavior, simulations of amplitude and phase responses are conducted. The results confirm the validity of theoretical predictions  

The solar to electric power conversion efficiency (PCE) of perovskite solar cells (PSCs) has recently reached 22.7%, exceeding that of competing thin film photovoltaics and the market leader polycrystalline silicon. Further augmentation of the PCE toward the Shockley-Queisser limit of 33.5% warrants suppression of radiationless carrier recombination by judicious engineering of the interface between the light harvesting perovskite and the charge carrier extraction layers. Here, we introduce a mesoscopic oxide double layer as electron selective contact consisting of a scaffold of TiO2 nanoparticles covered by a thin film of SnO2, either in amorphous (a-SnO2), crystalline (c-SnO2), or... 

In this work we report a new thermochemical method for the synthesis of ZnS:Mn nanocrystals. Zn(NO3)2 and Na2S 2O3 were used as the precursors and Mn(NO 3)2 was the source of impurity. Thioglycerol (TG,C 3H8O2S) was also used as the capping agent and the catalyst of the reaction. Na2S2O3 is a heat sensitive material which releases S species upon heating. Consequently, the reaction proceeds in temperatures higher than room temperature. The reaction was done in two steps. In the first step, the precursors were heated at 96 °C for an hour without TG. In the second step, TG was injected to the solution and the heating process was continued for longer heating durations. A fast growth occurred in...