Indian Association for the Cultivation of Science

About: Indian Association for the Cultivation of Science is a education organization based out in Kolkata, India. It is known for research contribution in the topics: Catalysis & Excited state. The organization has 3867 authors who have published 10457 publications receiving 220098 citations.

Use of Cluster Expansion Methods in the Open-Shell Correlation Problem

Abstract: Publisher Summary This chapter discusses the developments of the open-shell many-body cluster expansion theories. Interpretation of most of the spectroscopic and dynamical phenomena, involving excited or ionized molecules and molecular fragments require models for open-shell states transcending the simple orbital description. The language of occupation number representation, coupled with the hole-particle description of the operators, the use of Wick's theorem and the attendant diagrammatic depiction of the various terms makes the many-body approach a very attractive alternative to the traditional CI-based theories. The open-shell many-body perturbation theory (MBPT) and the propagator or the Green's function methods have now developed into vast computational technology, generating softwares that are cost-effective and competitive with the CI-based codes. The cluster expansion based open-shell many-body formalisms possess even greater potentiality since they not only share and embed all the desirable features and technical advantages of the open-shell MBPT or propagator theories, but also are inherently non-perturbative in nature. They provide more compact descriptions of the electron correlation and are more flexible. Moreover, the cluster expansion of the open-shell functions provides valuable insight regarding the structure of general many-electron wave-functions.

Doping Mn2+ in Lead Halide Perovskite Nanocrystals: Successes and Challenges

Abstract: Mn2+ ions doped in high-energy absorbing semiconductor host nanocrystals take away the exciton energy and result in spin-polarized d–d emission. For the last three decades this has been widely studied on group II–VI semiconductors. Recently, the doping has been extended to CsPbX3 perovskite nanocrystals. Although the optical transition follows a similar principle, in which the exciton energy is transferred to dopant Mn d-state, doping in perovskite also revealed several new fundamental aspects of doping and dopant-induced new optical properties. Here, anions which mostly tune the band gap controlled the fate of the appearance of Mn emission. Also, the doping process was observed to be different than traditional growth doping. Hence, in perovskite host nanocrystals, while some aspects of Mn doping are found to be in agreement with previous findings, some new facts also surfaced. Combining all these facts, this Perspective focuses on the journey of Mn doping from group II–VI semiconductors to lead halide pe...

Characterization of alkali-treated jute fibers for physical and mechanical properties

Abstract: Changes occurring in jute fibers when treated with a 5% concentration of a NaOH solution for 0, 2, 4, 6, and 8 h were characterized by weight loss, linear density, tenacity, modulus, FTIR, and X-ray measurements. A 9.63% weight loss was measured during 2 h of treatment with a drop of hemicellulose content from 22 to 12.90%. The linear density value showed no change until 2 h of treatment followed by a decrease from 33.0 to 14.5 denier by 56% after 6 h of treatment. The tenacity and modulus of the fibers improved by 45 and 79%, respectively, and the percent breaking strain was reduced by 23% after 8 h of treatment. X-ray diffractograms showed increase in crystallinity of the fibers only after 6 h of treatment, while FTIR measurements showed much of the changes occurring by 2 h of treatment with an increased amount of OH groups. By measuring the rate of change of the modulus, tenacity, and percent breaking strain with the time of treatment, a clear transition was apparent at 4 h of treatment with the dissolution of hemicellulose, causing a weight loss and drop in the linear density before and development of crystallinity with an improvement in the properties after the transition time. © 2001 John Wiley & Sons, Inc. J Appl Polym Sci 80: 1013–1020, 2001

Scaling of the conductivity spectra in ionic glasses: dependence on the structure

Abstract: A scaling approach in the conductivity formalism is applied to lithium tellurite glasses of different compositions. We observe that the hopping frequency can be used as the scaling frequency in the absence of well-defined dielectric loss peaks, and a universality of the scaling of the conductivity can be obtained for compositions with a similar structure. Further, the reasons behind the inapplicability of the scaling approach reported recently are elucidated in terms of structure of the glasses.

A review on the recent advances in hybrid supercapacitors

Abstract: Presently, supercapacitors have gained an important space in energy storage modules due to their extraordinarily high power density, although they lag behind the energy density of batteries and fuel cells. This review covers recent approaches to not only increase the power density, rate capability, cyclic stability, etc. of supercapacitors, but also to increase their energy density using hybrid architectures. Electrodes are the most important component of a supercapacitor cell, and thus this review primarily deals with the design of hybrid supercapacitor electrodes offering a high specific capacitance, together with the elucidation of the mechanisms involved therein. The electrode performance significantly depends on the available surface area, porosity and conductivity of the component materials, and thus nano-structuring of the electrode is an elegant approach, which is discussed in the subsections for 0-, 1-, 2-, 3-dimensional hybrid materials, including some miscellaneous hybrids. The fabrication of different hybrid materials using metal oxides, metal sulfides, carbon materials, etc. with conducting polymers such as polyaniline and polypyrrole and their characterization are delineated from the literature data. Here, we primarily focus on the mechanism of energy storage by non-faradic electrical double-layer capacitance and faradaic pseudo-capacitance, discussing the contributions of different component mechanisms towards the total capacitance. In the hybrids, the impact of the component concentration operating via different mechanisms for charge storage on their final electrochemical performance is discussed. The specific capacitance, volumetric capacitance, charge–discharge cycles, Ragone plot, etc. of hybrid supercapacitors are described. Besides household and heavy-duty applications, the state-of-the-art future applications of supercapacitors in robotics, renewable and sustainable energy devices, wearable and self-healing supercapacitors, and biotechnology and their challenges in real-world applications with the scope of future work are elucidated.