It is worth remarking that the C cage like isomer has been the topic of concentrated theoretical research. C single fullerene molecular devices gained a lot of popularity in the field of nano research due to their superlative doping dependent conductive properties. In this work, the double fullerene device has been considered. Here double fullerene molecular junction is created when two C fullerene molecules, one in pristine form and other in doped form, are positioned between gold electrodes. Doping was done firstly by second period elements, boron, nitrogen, oxygen, and fluorine and then by group 14 tetragens, silicon, germanium, tin, and lead. For both the cases current characteristics were investigated. Superior conductivity was observed in the boron doped double C molecular device while the fluorine doped device was the least conducting. Further for group 14 doping, the silicon doped double C device showed maximum current carrying feature, whereas, least value of current was noted in tin doped C device.
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http://dx.doi.org/10.1007/s00894-017-3430-9 | DOI Listing |
J Am Chem Soc
January 2025
College of Chemistry, Chemical Engineering and Materials Science, and State Key Laboratory of Radiation Medicine and Protection, Soochow University, Suzhou, Jiangsu 215123, P. R. China.
A thorium-carbon double bond that corresponds to the sum of theoretical covalent double bond radii has long been sought after in the study of actinide-ligand multiple bonding as a synthetic target. However, the stabilization of this chemical bond remains a great challenge to date, in part because of a relatively poor energetic matching between 5f-/6d- orbitals of thorium and the 2s-/2p- frontier orbitals of carbon. Herein, we report the successful synthesis of a thorium-carbon double bond in a carbon-bridged actinide-transition metal cluster, i.
View Article and Find Full Text PDFJ Chem Phys
January 2025
Departamento de Física, Instituto de Física e Matemática, Universidade Federal de Pelotas, Caixa Postal 354, Pelotas, Brazil.
Water is a fundamental component of life, playing a critical role in regulating metabolic processes and facilitating the dissolution and transport of essential molecules. However, emerging contaminants, such as pharmaceuticals, pose significant challenges to water quality and safety. Nanomaterial-based technologies emerge as a promising solution for removing those contaminants from water.
View Article and Find Full Text PDFJ Chem Phys
January 2025
Voevodsky Institute of Chemical Kinetics and Combustion of Siberian Branch of Russian Academy of Sciences, Institutskaya 3, 630090 Novosibirsk, Russia.
We developed a technique allowing the direct observation of photoinduced charge-transfer states (CTSs)-the weakly coupled electron-hole pairs preceding the completely separated charges in organic photovoltaic (OPV) blends. Quadrature detection of the electron spin echo (ESE) signal enables the observation of an out-of-phase ESE signal of CTS. The out-of-phase Electron-Electron Double Resonance (ELDOR) allows measuring electron-hole distance distributions within CTS and its temporal evolution in the microsecond range.
View Article and Find Full Text PDFFront Biosci (Landmark Ed)
December 2024
Research Centre for Medical Genetics, 115522 Moscow, Russia.
Background: There is a growing interest in exploring the biological characteristics of nanoparticles and exploring their potential applications. However, there is still a lack of research into the potential genotoxicity of fullerene derivatives and their impact on gene expression in human cells. In this study, we investigated the effects of a water-soluble fullerene derivative, C60[C6H4SCH2COOK]5H (F1), on human embryonic lung fibroblasts (HELF).
View Article and Find Full Text PDFSci Rep
November 2024
Department of Chemistry, The University of Sheffield, Dainton Building, Brook Hill, Sheffield, S3 7HF, UK.
Metal-organic framework nanosheets (MONs) have proved themselves to be useful additives for enhancing the performance of a variety of thin film solar cell devices. However, to date only isolated examples have been reported. In this work we take advantage of the modular structure of MONs in order to resolve the effect of their different structural and optoelectronic features on the performance of organic photovoltaic (OPV) devices.
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