Sharif Digital Repository

Cu2ZnSnS4 (CZTS) is a good candidate for cost-effective perovskite solar cells (PSCs) due to its direct bandgap with a value of 1.4–1.5 eV. In this study, we investigate CZTS ink as an inorganic hole-transport-layer (HTL) in CsMAFAPbIBr mixed halide PSCs. We study the cell efficiency and hole extraction from the perovskite layer for different thicknesses of HTL. The optimized device exhibits better hole selectivity, and the best efficiency of the device (12.84%) is achieved for the CZTS layer with a thickness of 159 nm. The prepared samples were also tested by open-circuit voltage decay analysis and electrochemical impedance spectroscopies. Results show that the optimized device effectively... 

We have studied the mechanical properties of a few-layer graphene cantilever (FLGC) using atomic force microscopy (AFM). The mechanical properties of the suspended FLGC over an open hole have been derived from the AFM data. Force displacement curves using the Derjaguin–Müller–Toporov (DMT) and the massless cantilever beam models yield a Young modulus of Ec ~ 37, Ea ~ 0.7 TPa and a Hamakar constant of ~ 3 × 10 − 18 J. The threshold force to shear the FLGC was determined from a breaking force and modeling. In addition, we studied a graphene nanoribbon (GNR), which is a system similar to the FLGC; using density functional theory (DFT). The in-plane Young's modulus for the GNRs were calculated... 

Density-functional study of strain effects on the electronic band structure and transport properties of the graphene nanoribbons (GNR) is presented. We apply a uniaxial strain (ε) in the x (nearest-neighbor) and y (second-nearest-neighbor) directions, related to the deformation of zigzag- and armchair-edge GNRs (AGNR and ZGNR), respectively. We calculate the quantum conductance and band structures of the GNR using the Wannier function in a strain range from −8% to +8% (minus and plus signs show compression and tensile strain). As strain increases, depending on the AGNR family type, the electrical conductivity changes from an insulator to a conductor. This is accompanied by a variation in the... 

A density functional theory (DFT) study of graphene synthesis from graphite oxidation and exfoliation is presented. The calculated DFT results for O adsorption predict CO as a most stable bond on the graphene oxide (GO) sheet. The obtained exfoliation energy for the graphene and the GO are 143 and ∼70 mJ/m2 that verify easier exfoliation of the graphite oxide compared with the graphite. Furthermore, the DFT results show that for decreasing the exfoliation energy of the GO at least two layers of the graphite should be oxidized during the oxidation process  

We report experimental evidence of Cu surface segregation in Ni/Cu system, during deposition of Ni film onto Cu substrate at room temperature and during heat treatment in vacuum. Auger electron spectroscopy (AES) and X-ray photoelectron spectroscopy (XPS) by Tougaard's analysis results show that surface segregation defeats in competition with increase in Ni thickness and terminates when thickness of Ni increase to more than 4 nm. Surface energy and concentration were calculated using contact angle measurements and the results confirm that segregation reduces the surface energy. Surface segregation during heat treatment at 150–220 °C range as a function of time initially shows linear mass... 

The motion of a C60 molecule over a graphene sheet at finite temperature is investigated both theoretically and computationally. We show that a graphene sheet generates a van der Waals laterally periodic potential, which directly influences the motion of external objects in its proximity. The translational motion of a C60 molecule near a graphene sheet is found to be diffusive in the lateral directions, while in the perpendicular direction, the motion may be described as diffusion in an effective harmonic potential which is determined from the distribution function of the position of the C60 molecule. We also examine the rotational diffusion of C 60 and show that its motion over the graphene... 

We have studied the mechanical properties of a few-layer graphene cantilever (FLGC) using atomic force microscopy (AFM). The mechanical properties of the suspended FLGC over an open hole have been derived from the AFM data. Force displacement curves using the Derjaguin-Müller-Toporov (DMT) and the massless cantilever beam models yield a Young modulus of Ec ∼ 37, Ea ∼ 0.7TPa and a Hamakar constant of ∼ 3 × 10 -18J. The threshold force to shear the FLGC was determined from a breaking force and modeling. In addition, we studied a graphene nanoribbon (GNR), which is a system similar to the FLGC; using density functional theory (DFT). The in-plane Young's modulus for the GNRs were calculated from... 

Density-functional study of strain effects on the electronic band structure and transport properties of the graphene nanoribbons (GNR) is presented. We apply a uniaxial strain (ε) in the x (nearest-neighbor) and y (second-nearest-neighbor) directions, related to the deformation of zigzag- and armchair-edge GNRs (AGNR and ZGNR), respectively. We calculate the quantum conductance and band structures of the GNR using the Wannier function in a strain range from -8% to +8% (minus and plus signs show compression and tensile strain). As strain increases, depending on the AGNR family type, the electrical conductivity changes from an insulator to a conductor. This is accompanied by a variation in the... 

We report experimental evidence of Cu surface segregation in Ni/Cu system, during deposition of Ni film onto Cu substrate at room temperature and during heat treatment in vacuum. Auger electron spectroscopy (AES) and X-ray photoelectron spectroscopy (XPS) by Tougaard's analysis results show that surface segregation defeats in competition with increase in Ni thickness and terminates when thickness of Ni increase to more than 4 nm. Surface energy and concentration were calculated using contact angle measurements and the results confirm that segregation reduces the surface energy. Surface segregation during heat treatment at 150-220 °C range as a function of time initially shows linear mass... 

Modeling and analysis of information system vulnerabilities helps us to predict possible attacks to networks using the network configuration and vulnerabilities information. As a fact, exploiting most of vulnerabilities result in access rights alteration. In this paper, we propose a new vulnerability analysis method based on the Take-Grant protection model. We extend the initial Take-Grant model to address the notion of vulnerabilities and introduce the vulnerabilities rewriting rules to specify how the protection state of the system can be changed by exploiting vulnerabilities. Our analysis is based on a bounded polynomial algorithm, which generates the closure of the Take-Grant graph... 

We study the translocation of stiff polymers through a nanopore, driven by the chemical-potential gradient exerted by binding proteins (chaperones) on the trans side of the pore. Bound chaperones prevent backsliding through the pore and, therefore, partially rectify the polymer passage. We show that the sequence of chain monomers with different binding affinity for the chaperones significantly affects the translocation dynamics. In particular, we investigate the effect of the nearest-neighbor adjacency probability of the two monomer types. Depending on the magnitude of the involved binding energies, the translocation speed may either increase or decrease with the adjacency probability. We... 

Combining the advection-diffusion equation approach with Monte Carlo simulations we study chaperone driven polymer translocation of a stiff polymer through a nanopore. We demonstrate that the probability density function of first passage times across the pore depends solely on the Péclet number, a dimensionless parameter comparing drift strength and diffusivity. Moreover it is shown that the characteristic exponent in the power-law dependence of the translocation time on the chain length, a function of the chaperone-polymer binding energy, the chaperone concentration, and the chain length, is also effectively determined by the Péclet number. We investigate the effect of the chaperone size on... 

The amount of rippling in graphene sheets is related to the interactions with the substrate or with the suspending structure. Here, we report on an irreversibility in the response to forces that act on suspended graphene sheets. This may explain why one always observes a ripple structure on suspended graphene. We show that a compression-relaxation mechanism produces static ripples on graphene sheets and determine a peculiar temperature Tc, such that for T