Sharif Digital Repository

Because of the compatibility with tandem devices and the ability to be manufactured at low temperatures, inverted perovskite solar cells have generated far-ranging interest for potential commercial applications. However, their efficiency remains inadequate owing to various traps in the perovskite film and the restricted hole blocking ability of the electron transport layer. Thus, in this work, a wide-bandgap n-type semiconductor, 4,6-bis(3,5-di(pyridin-4-yl)phenyl)-2-phenylpyrimidine (B4PyPPM), to modify a perovskite film via an anti-solvent method is introduced. The nitrogen sites of pyrimidine and pyridine rings in B4PyPPM exhibit strong interactions with the undercoordinated lead ions in... 

Understanding the chemistry of sandstone acidizing is important in designing an effective treatment for subsurface rock formations. The complex chemistry of sandstone systems leads to the precipitation of minerals that contribute to formation damage. Thus, monitoring the concentration and location of precipitates is necessary. In this work, a continuum-scale sequential implicit LEA/PLEA reactive transport model is developed and programmed through coupling OpenFOAM and Reaktoro to improve the model prediction. The proposed LEA/PLEA models are compared for core acidizing simulations at relatively high and low Damköhler numbers. We found that the common assumption of kinetically-controlled flow... 

Hydrogen technology through water electrolyzer systems has attracted a great attention to overcome the energy crisis. So, rationally designed non-noble metal based-electrocatalysts with high activity and durability can lead to high performance water electrolyzer systems and high purity hydrogen generation. Herein, a facile two-step method: hydrothermal and electrodeposition, respectively, are developed to decorate highly porous three-dimensional binder-free structure NiFeO/NiO nanosheets array on Ni foam (NiFeO/NiO/NF) with robust adhesion as a high-performance electrode for Hydrogen Evolution Reaction (HER). The electrodeposition process applied after the initial hydrothermal process... 

Due to the favorable properties of two-dimensional materials such as SnS2, with an energy gap in the visible light spectrum, and InSe, with high electron mobility, the combination of them can create a novel platform for electronic and optical devices. Herein, we study a tunable gain SnS2/InSe Van der Waals heterostructure photodetector. SnS2 crystals were synthesized by chemical vapor transport method and characterized using X-ray diffraction and Raman spectroscopy. The exfoliated SnS2 and InSe layers were transferred on the substrate. This photodetector presents photoresponsivity from 14 mA/W up to 740 mA/W and detectivity from 2.2 × 108 Jones up to 3.35 × 109 Jones by gate modulation from... 

Perovskite solar cells (PSCs) have shown rapid progress in a decade of extensive research and development, aiming now towards commercialization. However, the development of more facile, reliable, and reproducible manufacturing techniques will be essential for industrial production. Many lamination methods have been initially designed for organic photovoltaics (OPVs), which are conceptually similar to PSCs. Lamination could provide a low-cost and adaptable technique for the roll-to-roll production of solar cells. This review presents an overview of lamination methods for the fabrication of PSCs and OPVs. The lamination of different electrodes consisting of various materials such as metal back... 

In this study, in order to investigate the effect of the underlying pore-scale processes on continuum scale simulations of porous media dissolution, we improve the standard Lattice Boltzmann method using Quadtree grid refinement approach to simulate fluid flow and reactive transport through large domain sizes. Our results have shown considerable computational improvements up to 80% in simulation time together with increased numerical accuracy. The results and the added value of the new approach are discussed using comparison of our model with the conventional LBM. Moreover, we have applied a systematic analysis by increasing complexity levels and starting from fluid flow and continuing with... 

Engineering earth-rich, high-efficiency, and nonprecious electrocatalysts is an essential demand for water electrolysis to obtain clean and sustainable fuels. In this research, novel hybrid electrocatalysts based on coupling a hierarchical porous NiCo-mixed metal sulfide with a nanosheet structure (denoted as NiCoS) and a novel three-dimensional (3D) mesoporous open-cage/framelike structure of CoFeS are designed for oxygen evolution reaction (OER). In this regard, the single-step synthesis of a cobalt iron Prussian blue analog (CoFe PBA) frame/cagelike structure was performed without any etching step. Following a comparative study, CoFe PBA precursors were converted and doped with S, Se, and... 

Human-generated droplets constitute the main route for the transmission of coronavirus. However, the details of such transmission in enclosed environments are yet to be understood. This is because geometrical and environmental parameters can immensely complicate the problem and turn the conventional analyses inefficient. As a remedy, this work develops a predictive tool based on computational fluid dynamics and machine learning to examine the distribution of sneezing droplets in realistic configurations. The time-dependent effects of environmental parameters, including temperature, humidity and ventilation rate, upon the droplets with diameters between 1 and 250μm are investigated inside a... 

Fullerene derivatives with a strong electron-accepting ability play a crucial role in enhancing both the performance and stability of perovskite solar cells (PSCs). However, most of the used fullerene molecules are based on [6,6]-phenyl-C61-butyric acid methyl ester (PCBM), which limits the device performance due to difficulties in preparing high-quality and uniform thin films. Herein, solution-processable azahomofullerene (AHF) derivatives (abbreviated as AHF-1 and AHF-2) are reported as novel and effective electron-transport layers (ETLs) in p-i-n planar PSCs. Compared to the control PCBM ETL-based PSCs, the devices based on AHFs exhibit higher photovoltaic performances, which is... 

As multi-hop wireless networks are attracting more attention, the need to evaluate their performance becomes essential. In order to evaluate the performance metrics of multi-hop wireless networks, including sending and receiving rates of a node as well as the collision probability, a model based on Stochastic Reward Nets (SRNs) is proposed. The proposed SRN models a typical node in such networks, considered as a general template to be applied to any wireless node. The SRN model of a single node is designed to take transmission effects of all neighboring nodes into account, while ignoring the ones whose transmission has no effect on the node under-study. Applying the proposed SRN to each node... 

Precious metal-free electrocatalysts based on two-dimensional nanomaterials have efficiently been used for oxygen evolution reaction; however, the low activity and stability of these materials as compared with noble metals are still distractive. We present a novel and high-performance electrocatalyst based on nanowires of mixed transition metal oxysulfide supported by three-dimensional highly porous graphene networks. Electrochemical studies indicated that the high electron transport medium of nanowires and bilayer graphene nanosheets as well as their high active surface area promote the kinetics of oxygen evolution reaction (OER). A quite small overpotential of 260 mV at the current density... 

Wettability alteration is the principal low-salinity-effect (LSE) in many oil-brine-rock (OBR) systems. Our recent experimental results have demonstrated that wettability alteration by low salinity is slow. It is expected that the electrical behavior of oil/brine and rock/brine interfaces and the water film geometry control both the transient hydrodynamic pressure, and the time-scale of ionic transport in the film, thus the kinetics and degree of wettability alteration. In this paper, the electro-diffusion process induced by the imposed ionic strength gradient is simulated by solving Poisson-Nernst-Planck equations in a water film bound between two charged surfaces, using a finite... 

Increasing energy demands for pollution-free and renewable energy technologies have stimulated intense research on the development of inexpensive, highly efficient, and stable non-noble metal electrocatalysts for oxygen evolution reaction (OER). In this study, a superior OER performance was achieved using a tri-metallic (Zn, Co, Ni) high-performance electrocatalyst. We successfully fabricated a peony-flower-like hierarchical ZnCo2O4 through an additive-free hydrothermal reaction followed by heat treatment. Then NiCo-LDH (layered double hydroxides) nano-flakes was electrodeposited on the ZnCo2O4/GCE surface to prepare NiCo-LDH/ZnCo2O4/GCE which was used as electrode for OER. The structure and... 

Although important advances have been acquired in the field of electrocatalysis, the design and fabrication of highly efficient and stable non-noble earth-abundant metal catalysts for the oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) remain a significant challenge. In this study, we have designed a superior bifunctional catalyst for OER and HER in alkaline media based on the Co-Mo-P/Zn-Co-S multicomponent heterostructure. The as-prepared multicomponent heterostructure was successfully obtained via a simple three-step hydrothermal-sulfidation-electrodeposition process consisting of star-like Co-Zn-S covered with Co-Mo-P. The structure and morphology evaluation of the... 

Hereby a simple, low-cost and scalable route is being presented for preparation of binder-free electrodes of reduced graphene oxide (RGO) on Ni foam (Ni/Gr). In this regard, the Ni foams are dipped in graphene oxide (GO) slurry. Next, the GO loaded Ni foams are kept in a freeze dryer for 24 h and heated up to 800 °C in an inert atmosphere. In this approach, the amount of active materials can be easily optimized for capacitive deionization (CDI). The characterization of Ni/Gr electrodes revealed a 3D porous assembly of RGO on Ni substrate which is helpful for the fast ion diffusion and rapid electron transport. The electrochemical performance of the prepared electrodes is investigated in both... 

This study represents the investigation of In2S3 thin films, which have been deposited with different Indium salts (Chloride, Acetate, and Nitrate) using the Chemical Spray Pyrolysis (CSP) method. The Mott-Schottky analysis has been used in case of studying the electrical properties of films such as conduction and valence band, carrier densities, Fermi level (Efn), flat band potential, and semiconductor type. In the next step, the Rb1MAFA perovskite solar cell has been simulated, and the results have been validated by the experimental data (with the least parameters for fitting). Finally, In2S3 layers have been inserted on the SnO2 layer to decrease the recombination rate and enhance the... 

Nonprecious and effective electrocatalyst development is an essential requirement for boosting water-splitting efficiency to obtain clean and sustainable fuels for future renewable energy demands. Herein, we reported an ultrafast and feasible strategy for constructing an S-doped bimetallic iron/nickel oxy(hydroxide) (S-(Fe/Ni)OOH) as a superior electrocatalyst for oxygen evolution reaction (OER). It is prepared by consequent electroplating of nickel nanocone arrays (NiNCAs) on carbon cloth (CC) and stainless-steel mesh (SSM) and then formation of S-(Fe/Ni)OOH layers on them by ultrafast one-step oxidation solution-phase method in the solution of Fe3+ and sodium thiosulfate at room... 

Perovskite solar cells (PSCs) have experienced outstanding advances in power conversion efficiencies (PCEs) by employing new electron transport layers (ETLs), interface engineering, optimizing perovskite morphology, and improving charge collection efficiency. In this work, we study the role of a new ultrathin interface layer of titanium nitride (TiN) conformally deposited on a mesoporous TiO2 (mp-TiO2) scaffold using the atomic layer deposition method. Our characterization results revealed that the presence of TiN at the ETL/perovskite interface improves the charge collection as well as reduces the interface recombination. We find that the morphology (grain size) and optical properties of... 

In this paper a probabilistic methodology based on core nodalization is proposed to estimate the core power in the presence of xenon oscillation. A time-dependent Monte Carlo neutron transport code named MCSP-NOD is developed for dynamic analysis in arbitrary 3D geometries to simulate xenon oscillations as well as sub-critical condition with feedbacks. The new code is based on the approach adopted in MCNP-NOD which was previously introduced as a tool for core transient analysis using the MCNPX platform. As before, the core is divided into nodes of arbitrary dimensions, and all terms of the transport equation e.g. interaction rates, leakage ratio are estimated using the MC techniques....