Optical modelling of P3HT:PC<Subscript>71</Subscript>BM semi-transparent organic solar cell

The optical properties of a novel semi-transparent organic solar cell were investigated both experimentally and by transfer matrix modelling to maximize photocurrent generation. The effect of multilayer anode thickness and illumination direction was studied. Bottom illumination was shown to provide enhanced exciton generation and increased photocurrent. Changing the multilayer anode thickness also influenced the device reflectance and photocurrent generation.     

Microcalorimetry and spectroscopic studies on the binding of dye janus green blue to deoxyribonucleic acid

The interaction of the phenazinium dye janus green blue (JGB) with deoxyribonucleic acid was investigated using isothermal titration calorimetry and thermal melting experiments. The calorimetric data were supplemented by spectroscopic studies. Calorimetry results suggested the binding affinity of the dye to DNA to be of the order of 10⁵ M^?1. The binding was predominantly entropy driven with a small negative favorable enthalpy contribution to the standard molar Gibbs energy change. The binding became weaker as the temperature and salt concentration was raised. The temperature dependence of the standard molar enthalpy changes yielded negative values of standard molar heat capacity change for the complexation revealing substantial hydrophobic contribution in the DNA binding. An enthalpy–entropy compensation behavior was also observed in the system. The salt dependence of the binding yielded the release of 0.69 number of cations on binding of each dye molecule. The non-polyelectrolytic contribution was found to be the predominant force in the binding interaction. Thermal melting studies revealed that the DNA helix was stabilized against denaturation by the dye. The binding was also characterized by absorbance, resonance light scattering and circular dichroism spectral measurements. The binding constants from the spectral results were close to those obtained from the calorimetric data. The energetic aspects of the interaction of the dye JGB to double-stranded DNA are supported by strong binding revealed from the spectral data.     

Field emission studies of silver nanoparticles synthesized by electron cyclotron resonance plasma

Field emission has been studied for silver nanoparticles (25-200 nm), deposited within a cylindrical silver target in an electron cyclotron resonance (ECR) plasma. Particle size distribution was controlled by optimum biasing voltages between the chamber and the target. Presence of non-oxidized silver was confirmed from the X-Ray diffraction analysis; however, thin protective layer of oxide was identified from the selective area electron diffraction pattern obtained with transmission electron microscopy. The silver nanoparticles were seen to exhibit hilly pointed like structures when viewed under the atomic force microscopy (AFM). The emissive properties of these particles were investigated by field emission microscopy. It is found that this technique of deposition is ideal for formation of nanoparticles films on different substrate geometries with size controllability as well as its application to emission devices.     

Optimization of sample size and order size in an inventory model with quality inspection and return of defective items

To ensure all products as perfect, inspection is essential, even though it is not possible to inspect all products after producing them like some special type products as plastic joint for the water pipe. In this direction, this paper develops an inventory model with lot inspection policy. With the help of lot inspection, all products need not to be verified still the retailer can decide the quality of products during inspection. If retailer founds products as imperfect quality, the products are sent back to supplier. As it is lot inspection, mis-clarification errors (Type-I error and Type-II error) are introduced to model the problem. Two possible cases are discussed for sending back products as defective lots are immediately withdrawn from the system and send back to supplier with retailer’s payment and for second case, retailer sends defective products during receiving next lot from supplier with supplier’s investment, like in food industry or in hygiene product industry. The model is solved analytically and results indicate that optimal order size and sample size are intrinsically linked and maximize the total profit. Numerical examples, graphical representations, and sensitivity analysis are given to illustrate the model. The results suggest that sending defective products maintaining the first case is the more profitable than the second case.     

The synthesis of a chemically reactive and polymeric luminescent gel

In the past, chemically reactive polymeric interfaces have been considered to be of potential interest for developing functional materials for a wide range of practical applications. Furthermore, the rational incorporation of luminescence properties into such chemically reactive interfaces could provide a basis for extending the horizon of their prospective utility. In this report, a simple catalyst-free chemical approach is introduced to develop a chemically reactive and optically active polymeric gel. Branched-polyethyleneimine (BPEI)-derived, inherently luminescent carbon dots (BPEI-CDs) were covalently crosslinked with pentaacrylate (5Acl) through a 1,4-conjugate addition reaction under ambient conditions. The synthesized polymeric gel was milky white under visible light; however, it displayed fluorescence under UV light. Additionally, the residual acrylate groups in the synthesized fluorescent gel allowed its chemical functionality to be tailored through facile, robust 1,4-conjugate addition reactions with primary-amine-containing small molecules under ambient conditions. The chemical reactivity of the luminescent gel was further employed for a proof-of-concept demonstration of portable and parallel ‘ON’/‘OFF’ toxic chemical sensing (namely, the sensing of nitrite ions as a model analyte). First, the chemically reactive luminescent gel derived from BPEI-CDs was covalently post-modified with aniline for the selective synthesis of a diazo compound in the presence of nitrite ions. During this process, the color of the gel under visible light changed from white to yellow and, thus, the colorimetric mode of the sensor was turned ‘ON’. In parallel, the luminescence of the gel under UV light was quenched, which was denoted as the ‘OFF’ mode of the sensor. This parallel and unambiguous ‘ON’/‘OFF’ sensing of a toxic chemical (nitrite ions, with a detection limit of 3 μM) was also achieved even in presence of other relevant interfering ions and at concentrations well below the permissible limit (65 μM) set by the World Health Organization (WHO). Furthermore, this chemically reactive luminescent gel could be of potential interest in a wide range of basic and applied contexts.

An unprecedented chemically reactive and polymeric luminescent gel is developed, and this material is further employed to develop a portable and rapid sensor for a practically relevant analyte (nitrite ions) with a sensitivity of 3 μM.     

Direct solvothermal synthesis of early transition metal nitrides

Solvothermal reactions of TaCl5 with LiNH2 in benzene result in nanocrystalline Ta3N5 at 500 or 550 degrees C. The approximately 25 nm Ta3N5 particles have a band gap of 2.08-2.10 eV. The same reactions in mesitylene resulted in a higher crystallization temperature and large amounts of carbon incorporation due to solvent decomposition. Reactions of Ta(NMe2)5 with LiNH2 under the same conditions resulted in TaN. Rocksalt-type MN phases are obtained for Zr, Hf, or Nb when their chlorides (ZrCl4, HfCl4, or NbCl5) or dialkylamides (M(NEtMe)4, M = Zr, Hf) are reacted with LiNH2 under similar conditions. With the amides, there is some evidence for nitrogen-rich compositions (HfN >1), and carbon is incorporated into the products through pyrolysis of the dialkylamide groups.     

A generic approach to decipher the mechanistic pathway of heterogeneous protein aggregation kinetics

Amyloid formation is a generic property of many protein/polypeptide chains. A broad spectrum of proteins, despite having diversity in the inherent precursor sequence and heterogeneity present in the mechanism of aggregation produces a common cross β-spine structure that is often associated with several human diseases. However, a general modeling framework to interpret amyloid formation remains elusive. Herein, we propose a data-driven mathematical modeling approach that elucidates the most probable interaction network for the aggregation of a group of proteins (α-synuclein, Aβ42, Myb, and TTR proteins) by considering an ensemble set of network models, which include most of the mechanistic complexities and heterogeneities related to amyloidogenesis. The best-fitting model efficiently quantifies various timescales involved in the process of amyloidogenesis and explains the mechanistic basis of the monomer concentration dependency of amyloid-forming kinetics. Moreover, the present model reconciles several mutant studies and inhibitor experiments for the respective proteins, making experimentally feasible non-intuitive predictions, and provides further insights about how to fine-tune the various microscopic events related to amyloid formation kinetics. This might have an application to formulate better therapeutic measures in the future to counter unwanted amyloidogenesis. Importantly, the theoretical method used here is quite general and can be extended for any amyloid-forming protein.

Amyloid formation is a generic property of many protein/polypeptide chains.     

Enhanced stability of low temperature processed perovskite solar cells via augmented polaronic intensity of hole transporting layer

The commercial mass production of perovskite solar cells requires full compatibility with roll‐to‐roll processing with enhanced device stability. In line with this, the present work addresses following issues simultaneously from multiple fronts: (i) low temperature processed (140 °C) ZnO is used as electron transport layer (ETL) for fabricating the mixed organic cation based perovskite solar cells, (ii) the expensive hole transporting layer (HTL) spiro‐OMeTAD is replaced with F4TCNQ doped P3HT and (iii) the fabrication method does not incorporate the dopant TBP which is known to induce degradation processes in perovskite layer. All the devices under study were fabricated in ambient conditions. The F4TCNQ doped P3HT (HTL) based devices exhibits 14 times higher device stability compared to the conventional Li‐TFSI/TBP doped P3HT devices. The underlying mechanism behind the enhanced device lifetime in F4TCNQ doped P3HT (HTL) based devices was investigated via in‐depth electronic, ionic and polaronic characterization. The enhanced polaronic property in F4TCNQ doped P3HT HTL device ascertains its superior hole extraction and electron blocking capability; and consequently higher stability retained even after a month of ageing.