Search

Using first principle calculation we have studied the structural, electronic and magnetic properties of four different stoichiometry of Copper Thiocyanate (CuSCN); namely 1) CSCuN, 2) CNCuS, 3) CuSCN and 4) SCNCuSCNCu. The calculated binding energy revels the stability factor of different stoichiometry and found that the CuSCN and SCNCuSCNCu have highest binding energy magnitude with negligible magnetic moment. The antiferromagnetic behavior is observed in all stoichiometry expect CuSCN. The reason of spin polarized metallic behavior is discussed. Our results show that the CuSCN can induce the half metallic nature which is crucial parameters for several futuristic applications. [ABSTRACT FROM AUTHOR]

Earth is getting contaminated by different sources and it affects various factors. Pure water is the most essential need for living creatures. Although, there are different reasons by which heavy metals get dissolved in water but industrial waste like metal wastage, chemical wastage, clothing dyes, etc are the main reasons by which water gets polluted. As there are many techniques like precipitation, chromatography, electrophoresis and ion exchange, etc and biosorption is one of the conventional methods. Here, this lignin extracted from walnut shells is considered a bio-sorbent that adsorb heavy metals like copper from wastewater. Lignin is a naturally occurring biomass abundantly found in agricultural waste, paper pulp, and wood residue. Certain lignin modifications are done to get a higher absorbance rate of heavy metals in a quick period. Lignin-based nanoparticles with proper alignment absorb more. Sorption by lignin-based nanoparticles is the most appropriate method than other available methods for heavy metal removal as it is not expensive, easily available material, and no need for a heavy setup. [ABSTRACT FROM AUTHOR]