Search results for "electronic properties"
showing 6 items of 96 documents
Theoretical search for low-band-gap vinylene linked polymers: heteroarylene vinylene copolymers
1993
Abstract We report a study of the role of the heteroatoms on the electronic properties of poly(thienylene vinylene-co-furylene vinylene), poly(thienylene vinylene-co-pyrrylene vinylene) and poly(furylene vinylene-co-pyrrylene vinylene) at the VEH level. The theoretical calculations show that the electronic properties depend on the nature of the heteroatoms present in the copolymer. The VEH trends are in accord with experimental and theoretical data reported in the literature.
ChemInform Abstract: Proton Coordination by Polyamine Compounds in Aqueous Solution
2010
Abstract The present article is concerned with proton transfer reactions in aqueous solution of open-chain, macrocyclic and macropolycyclic or cage compounds having nitrogen atoms as protonation sites in the molecular framework, although several compounds with additional different donors will be considered. The main purpose of this review is to collect some significant examples of proton transfer processes in order to show how the electronic properties and molecular topology of polyamines affect the thermodynamic parameters of their protonation equilibria.
Conjugation with carbon nanotubes improves the performance of mesoporous silicon as Li-ion battery anode
2020
Carbon nanotubes can be utilized in several ways to enhance the performance of silicon-based anodes. In the present work, thermally carbonized mesoporous silicon (TCPSi) microparticles and single-walled carbon nanotubes (CNTs) are conjugated to create a hybrid material that performs as the Li-ion battery anode better than the physical mixture of TCPSi and CNTs. It is found out that the way the conjugation is done has an essential role in the performance of the anode. The conjugation should be made between negatively charged TCPSi and positively charged CNTs. Based on the electrochemical experiments it is concluded that the positive charges, i.e., excess amine groups of the hybrid material i…
State of the art and prospects for halide perovskite nanocrystals
2021
Financiado para publicación en acceso aberto: Universidade de Vigo/CISUG Metal-halide perovskites have rapidly emerged as one of the most promising materials of the 21st century, with many exciting properties and great potential for a broad range of applications, from photovoltaics to optoelectronics and photocatalysis. The ease with which metal-halide perovskites can be synthesized in the form of brightly luminescent colloidal nanocrystals, as well as their tunable and intriguing optical and electronic properties, has attracted researchers from different disciplines of science and technology. In the last few years, there has been a significant progress in the shape-controlled synthesis of …
Unravelling the Intertwined Atomic and Bulk Nature of Localised Excitons by Attosecond Spectroscopy
2021
The electro-optical properties of most semiconductors and insulators of technological interest are dominated by the presence of electron-hole quasi-particles, called excitons. The manipulation of excitons in dielectrics has recently received great attention, with possible applications in different fields including optoelectronics and photonics. Here, we apply attosecond transient reflection spectroscopy in a sequential two-foci geometry and observe sub-femtosecond dynamics of a core-level exciton in bulk MgF2 single crystals. Furthermore, we access absolute phase delays, which allow for an unambiguous comparison with theoretical calculations. Our results show that excitons surprisingly exhi…
Theoretical investigation of the electronic structure of fullerenes
1994
Summary form only given. Research in the growing family of fullerene compounds are in continuous expansion. Much theoretical and experimental effort has been devoted to the study of the electronic properties these carbon cages present. However, although significant work has been done, the purpose of this paper is to provide a detailed theoretical analysis of the electronic properties of several fullerenes. We have calculated the electronic structure of these carbon cages within the valence effective Hamiltonian (VEH) approach. The calculated one-electron energy levels are correlated with experimental UPS spectra. The good correlation between calculated and experimental values shows VEH appr…