相关论文: Ionization and electron excitation of fullerene mo…
Electronic excitations and ionisations produced by electron impact are key processes in the radiation-induced damage mechanisms in materials of biological relevance, underlying important medical and technological applications, including…
Ultrafast electron thermalization - the process leading to Auger recombination, carrier multiplication via impact ionization and hot carrier luminescence - occurs when optically excited electrons in a material undergo rapid…
Dielectric properties of carbon nanotubes (CNT) are calculated with taking into account the deviation of carbon valence electrons from to be placed exactly on the CNT surface. The results show difference to the usually applied 2D electron…
Ultrafast charge transfer (CT) processes redistribute electronic charge within and between molecular units and play a central role in many physical, chemical, and biological phenomena. However, the microscopic pathways of multiple CT…
Electron heating and ionization dynamics in capacitively coupled radio frequency (RF) atmospheric pressure microplasmas operated in helium are investigated by Particle in Cell simulations and semi-analytical modeling. A strong heating of…
Fullerenes are known to be polarizable due to the strained carbon-carbon bonds and high surface curvature. Electronic polarization of fullerenes is of steady practical importance, since it leads to non-additive interactions and, therefore,…
The electrolysis of CO$_2$ in molten carbonate has been introduced as an alternative mechanism to synthesize carbon nanomaterials inexpensively at high yield. Until recently, CO$_2$ was thought to be unreactive, making its removal a…
A first-principle theoretical approach to study the process of radiative electron attachment is developed and applied to the negative molecular ions CN$^-$, C$_4$H$^-$, and C$_2$H$^-$. Among these anions, the first two have already been…
The response of fullerenes and carbon nanotubes is investigated by representing each carbon atom by its atomic polarizability. The polarization of each carbon atom produces an induced dipole that is the result of the interaction with a…
Cyclic Voltammetry (CV) is the most commonly used method in electrochemistry to characterize electrochemical reactions, usually involving macroscopic electrodes. Here we demonstrate an optical CV technique called Opto-iontronic Microscopy,…
Energetic ion irradiation is an effective method for studying how single and multi-shelled carbon nanotubes break apart. The energy from ions is dissipated through both linear and nonlinear processes in the nanotubes, leading to defect…
Photoionization of an atom in the presence of a neighboring atom of different species is studied. The latter first undergoes resonant photoexcitation, leading to an autoionizing state of the diatomic system. Afterwards, the excitation…
Bias-induced light emission and thermal radiation from conducting channels of carbon nanotubes (CNTs) with defects are studied theoretically within the framework of nonequilibrium Green's function method based on a tight-binding model.…
Understanding charge transfer (CT) between two chemical entities and subsequent change in their charge densities is essential not only for molecular species but also for various low-dimensional materials. Because of their extremely high…
Electron-impact ionization of an atom or ion in the presence of a neighboring atom is studied. The latter is first collisionally excited by the incident electron, whose energy is assumed to be high but nonrelativistic. Afterwards, the…
Ionization collisions have important consequences in many physical phenomena, and the mechanism that leads to ionization is not universal. Double differential cross sections (DDCSs) are often used to identify ionization mechanisms because…
Radiation damage is an unavoidable process when performing structural investigations of biological macromolecules with X-ray sources. In crystallography this process can be limited through damage distribution in a crystal, while for single…
We investigate the accuracy of first-principles many-body theories at the nanoscale by comparing the low energy excitations of the carbon fullerenes C_20, C_24, C_50, C_60, C_70, and C_80 with experiment. Properties are calculated via the…
Single crystals of C$_{60}$ saturated with molecular hydrogen and nitrogen were studied using the spectral-luminescent method of registration in the quantum counting mode at a low temperature of 20 K. Previously, it was found that the…
Photo-ionization induced ultrafast electron dynamics is considered as a precursor to the slower nuclear dynamics associated with molecular dissociation. Here, using ab initio multielectron wave-packet propagation method, we study the…