Sharif Digital Repository

A series of bithiazole-based dye sensitizers have been designed by employing various electron-rich moieties as π-spacer, which are based on the reported experimentally synthesized dye T-BT, to shed a light on the impact of both the nature and position of electron-rich moiety on the efficiency of dyes in DSSCs. To evaluate the efficiency of these dyes, various key parameters associated with overall conversion efficiency (η), including electronic and optical properties of free dyes are calculated, based on the computational methods. Besides, the dye/TiO2 structures have been taken into account to investigate the interfacial features of the dye sensitizers adsorbed on TiO2 semiconductor and... 

A series of experimentally synthesized metal free organic dyes based on the 2-Cyano-3-(5-(5'-(4-(diphenylamino)phenyl)-4,4'-dihexyl-2,2'-bithiazol-5-yl)thiophen-2-yl)acrylic acid (dye 1) were investigated, based on computational methods to shed light on how a tiny difference in π-linker of sensitizer, C[tbnd]C and thiophene moiety as the additional π spacer group in dyes 2 and 3 respectively, has a significant impact on the short-circuit photocurrent densities (JSC) in Dye-sensitized solar cells (DSSCs). Although dyes 2 and 3 have similar redshifts in comparison to dye 1 in the UV–vis absorption spectra, there is a significant difference between JSC values of these dyes resulting in... 

Fiber reinforced materials are widely used in many industrial structures including automotive, aviation, and civil due to their lower weights compared to metal structures. Full-composite body structures, especially in automotive and aviation applications, are becoming a proper replacement for current metal ones. For this reason, damage of such structures subjected to impact is a crucial case study in current research. The typical types of damages are mainly caused during production, repair, maintenance, or by particle crashes during function, and collisions between different structures. In this paper, four different fiber reinforced composite plates are studied after being impacted by a... 

In dye-sensitized solar cells recombination reactions at the TiO2 photoanode with the electrolyte interface plays a critical role in cell efficiency. Recombination of injected electrons in the TiO2 with acceptors in the electrolyte usually occurs on uncovered areas of TiO2 surfaces. In this work, we report electropolymerization of polymer films on nanoporous TiO2 electrode surfaces using an ionic liquid as the growth medium. The choice of ionic liquid as the growth medium for this study is based on the insolubility of dye N719 in this electrolyte, thus avoiding dye molecule detachment from the TiO2 photoanode surface over the entire potential range investigated during the... 

The polysaccharide, kappa-carrageenan (κC) was chemically modified to achieve a novel superabsorbent hydrogel via graft copolymerization of methacrylamide (MAM) onto the substrate followed by alkaline hydrolysis. Ammonium persulfate (APS) and N,N′-methylene bisacrylamide (MBA) were used as a free-radical initiator and a crosslinker, respectively. The saponification reaction was carried out using sodium hydroxide aqueous solution. Either κC-g-PMAM or hydrolyzed κC-g-PMAM (PMAM: polymethacrylamide) was characterized by FT-IR spectroscopy. The effect of grafting variables (i.e. concentration of MBA, MAM, and APS) and alkaline hydrolysis conditions (i.e. NaOH concentration, hydrolysis time and... 

To synthesize a novel biopolymer-based superabsorbent hydrogel, 2-acrylamido-2-methylpropanesulfonic acid (AMPS) was grafted onto kappa-carrageenan (KC) backbones. The graft copolymerization reaction was carried out in a homogeneous medium and in the presence of ammonium persulfate (APS) as an initiator, N,N,N',N'-tetramethyl ethylenediamine (TMEDA) as an accelerator, and N,N'-methylene bisacrylamide (MBA) as a crosslinker. A proposed mechanism for KC-g-AMPS formation was suggested and the hydrogel structure was confirmed using FTIR spectroscopy. The affecting variables on swelling capacity, i.e., the initiator, the crosslinker, and the monomer concentration, as well as reaction temperature,... 

In this study, a series of highly swelling hydrogels based on sodium alginate (NaAlg) and polymethacrylamide (PMAM) was prepared through free radical polymerization. The graft copolymerization reaction was performed in a homogeneous medium and in the presence of ammonium persulfate (APS) as an initiator andN,N′-methylenebisacrylamide (MBA) as a crosslinker. The crosslinked graft copolymer, alginate-graft-polymethacrylamide (Alg-g-PMAM), was then partially hydrolyzed by NaOH solution to yield a hydrogel, hydrolyzed alginate-graft-polymethacrylamide (H-Alg-g-PMAM). During alkaline hydrolysis, the carboxamide groups of Alg-g-PMAM were converted into hydrophilic carboxylate anions. Either the... 

This letter presents a Ka-Band 0.1-μm GaAs pHEMT Power Amplifier with broad bandwidth. The isolating backvia wall (IBVW) has been proposed to improve the stability and performance. Over the frequency band of 31-40 GHz, implemented PA delivers 5 W saturated output power, 28% maximum power added efficiency (PAE) and 20 dB maximum small-signal gain. The chip size of the PA is 11.9 mm2. To the best of authors knowledge, the presented PA demonstrates widest bandwidth in Ka-band GaAs PAs while maintaining compact size  

A Deza graph G with parameters (n,k,b,a) is a k-regular graph with n vertices such that any two distinct vertices have b or a common neighbours. The children GA and GB of a Deza graph G are defined on the vertex set of G such that every two distinct vertices are adjacent in GA or GB if and only if they have a or b common neighbours, respectively. A strongly Deza graph is a Deza graph with strongly regular children. In this paper we give a spectral characterisation of strongly Deza graphs, show relationships between eigenvalues, and study strongly Deza graphs which are distance-regular. © 2021 Elsevier B.V  

A Deza graph G with parameters (n,k,b,a) is a k-regular graph with n vertices such that any two distinct vertices have b or a common neighbours. The children GA and GB of a Deza graph G are defined on the vertex set of G such that every two distinct vertices are adjacent in GA or GB if and only if they have a or b common neighbours, respectively. A strongly Deza graph is a Deza graph with strongly regular children. In this paper we give a spectral characterisation of strongly Deza graphs, show relationships between eigenvalues, and study strongly Deza graphs which are distance-regular. © 2021 Elsevier B.V  

A Deza graph with parameters (n, k, b, a) is a k-regular graph with n vertices such that any two of its vertices have b or a common neighbours, where b ≥ a. In this paper we investigate spectra of Deza graphs. In particular, using the eigenvalues of a Deza graph we determine the eigenvalues of its children. Divisible design graphs are significant cases of Deza graphs. Sufficient conditions for Deza graphs to be divisible design graphs are given, a few families of divisible design graphs are presented and their properties are studied. Our special attention goes to the invertibility of the adjacency matrices of Deza graphs. © 2020, © 2020 Informa UK Limited, trading as Taylor & Francis Group  

A Deza graph with parameters (Formula presented.) is a k-regular graph with n vertices such that any two of its vertices have b or a common neighbours, where (Formula presented.). In this paper we investigate spectra of Deza graphs. In particular, using the eigenvalues of a Deza graph we determine the eigenvalues of its children. Divisible design graphs are significant cases of Deza graphs. Sufficient conditions for Deza graphs to be divisible design graphs are given, a few families of divisible design graphs are presented and their properties are studied. Our special attention goes to the invertibility of the adjacency matrices of Deza graphs. © 2020 Informa UK Limited, trading as Taylor &... 

Let G be a graph. The first and second Zagreb index of G is defined as M1(G)= Σ degG(V)2 and M2(G)= Σ degG(u)degG(V) respectively. In this paper we compute Zagreb indices of chain graphs  

The quantum integrability of the 1D ionic Hubbard model (IHM) is established using two independent numerical methods, namely i) energy level spacing statistics and ii) occupation profile of one-particle density matrix (OPDM) eigen-values. Both methods suggest that the 1D IHM is integrable. The calculations of energy level statistics reproduce the known results for the standard Hubbard model. Upon turning on the the ionic term, the energy level spacing distribution of this model continues to obey the Poissonian distribution. Occupation patterns as extracted from OPDM indicate that quasi-particles are sharpened upon increasing the ionic potential. This is evidenced by a larger jump in the... 

With the ionic Hubbard model (IHM) in mind, we construct a non-trivial generalization of the Bethe ansatz (BA) wave function which naturally generalizes the Lieb–Wu wave function with an ionic parameter Δ, and reduces to Lieb–Wu solution in the limit Δ→0. The resulting two-particle scattering matrix satisfies the Yang–Baxter equation. To the extent that the unit cells with more than two electrons (Choy–Haldane issue) are avoided on average, our wave function represents an effective solution for the one-dimensional IHM. The Choy–Haldane issue limits the validity of our solution to low-filling and large U≳4. This regime is attainable in cold atom realizations of the IHM. For this regime, we...