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Synthesis and characterization of NiO nanoparticles by thermal decomposition of nickel linoleate and their optical properties
Abstract Well dispersed nickel oxide nanoparticles have been synthesized successfully by direct calcination of nickel linoleate. The structure, morphology and properties of the nanoparticles were
Organic semiconductor photosensors
Abstract Coumarin doped with poly(3-hexylthiophene)/p-Si photodiodes were prepared by the drop-casting technique. The current–voltage characteristics of the prepared diodes with the structure of
Synthesis, characterization, and evaluation of some novel 4(3H)-quinazolinone derivatives as anti-inflammatory and analgesic agents
Some of new 3-(4-chlorophenyl or 4-fluorophenyl)-6-iodo-4-oxo-3,4-dihydroquinazoline derivatives having a Schiff bases, oxazolone, imidazolidine, pyrazolidine, pyridine, pyrimidine, and various
CO2/CH4 adsorption over functionalized multi-walled carbon nanotubes; an experimental study, isotherms analysis, mechanism, and thermodynamics
Abstract Understanding of the interactions of the CO2 molecules with pore structure and surface functionalities during natural gas purification provides significant knowledge about potential
Waste paper derived three-dimensional carbon aerogel integrated with ceria/nitrogen-doped reduced graphene oxide as freestanding anode for high performance and durable microbial fuel cells
TLDR
The present exploration facts access advanced avenues to converting waste matters of tissue paper, human urine, and wastewater into profitable constituents for the development of efficient and durable power producing systems.
Doping induced effect on optical and band structure properties of Sr2Si5N8 based phosphors: DFT approach
Abstract Nitrido silicates are emerged as highly efficient luminescent materials (phosphors) that found considerable industrial application as white light emitting diodes (LEDs) have been studied
Diradical character and nonlinear optical properties of buckyferrocenes: focusing on the use of suitably modified fullerene fragments.
TLDR
It is found that the unblocking of π-conjugation from different positions in fullerene fragments have substantial effects on their topologies, spin densities, diradical characters as well as nonlinear optical (NLO) properties of these buckyferrocenes.
Natural Products Database Screening for the Discovery of Naturally Occurring SARS‐Cov‐2 Spike Glycoprotein Blockers
TLDR
Two natural compounds, castanospermine and karuquinone B, were shown to be the best‐in‐class derivatives in silico able to target an essential structure of the virus and to act in the early stage of infection.
Effect of donor and acceptor groups on radical scavenging activity of phenol by density functional theory
Abstract Ground state geometries of Phenol, p-nitrophenol, p-fluorophenol, p-methylphenol, p-methoxyphenol, p-aminophenol, p-hydroxybenzonitrile, 1-(4-hydroxy-phenyl)-ethanone, p-hydroxybenzoic acid
Hierarchical MnS@MoS2 architectures on tea bag filter paper for flexible, sensitive, and selective non-enzymatic hydrogen peroxide sensors
Abstract We report here the rational development of MnO2 nanorods coated tea bag filter paper (TBFP) as a self-standing, bendable, and disposable electrochemical probe for the sensitive and selective
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