Analysis of Charged State Stability for Monoclinic of LiMnBO3 Cathode
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CHARGE STATE EVOLUTION IN THE SOLAR WIND. II. PLASMA CHARGE STATE COMPOSITION IN THE INNER CORONA AND ACCELERATING FAST SOLAR WIND
In the present work, we calculate the evolution of the charge state distribution within the fast solar wind. We use the temperature, density, and velocity profiles predicted by Cranmer et al. to calculate the ionization history of the most important heavy elements in the solar corona and solar wind: C, N, O, Ne, Mg, Si, S, and Fe. The evolution of each charge state is calculated from the source region in the lower chromosphere to the final freeze-in point. We show that the solar wind velocity causes the plasma to experience significant departures from equilibrium at very low heights, well inside the field of view (within 0.6 R{sub sun} from the solar limb) of nearly all the available remote-sensing instrumentation, significantly affecting observed spectral line intensities. We also study the evolution of charge state ratios with distance from the source region, and the temperature they indicate if ionization equilibrium is assumed. We find that virtually every charge state from every element freezes in at a different height, so that the definition of freeze-in height is ambiguous. We also find that calculated freeze-in temperatures indicated by charge state ratios from in situ measurements have little relation to the local coronal temperature of the wind source region, and stop evolving much earlier than their correspondent charge state ratio. We discuss the implication of our results on plasma diagnostics of coronal holes from spectroscopic measurements as well as on theoretical solar wind models relying on coronal temperatures.
79 ASTRONOMY AND ASTROPHYSICS↗
Quantification of the solid-state charge mobility in a model radical polymer
We establish that an oft-used radical polymer, poly(2,2,6,6-tetramethylpiperidinyloxy methacrylate) (PTMA), has a solid-state hole mobility value on the order of 10 -4 cm 2 V -1 s -1 in a space charge-limited device geometry. Despite being completely amorphous and lacking any $π$-conjugation, these results demonstrate that the hole mobility of PTMA is comparable to many well-studied conjugated polymers [e.g., poly(3-hexylthiophene)]. Furthermore, we show that the space charge-limited charge carrier mobility of these macromolecules is only a weak function of temperature, in contrast to many thermally-activated models of charge transport in polymeric materials. This key result demonstrates that the charge transport in radical polymers is inherently different than that in semicrystalline, conjugated polymers. These results establish the mechanism of solid-state charge transport in radical polymers and provide macromolecular design principles for this emerging class of organic electronic materials.
36 MATERIALS SCIENCE↗
Low charge state heavy ion production with sub-nanosecond laser
We have investigated laser ablation plasma of various species using nanosecond and sub-nanosecond lasers for both high and low charge state ion productions. We found that with sub-nanosecond laser, the generated plasma has a long tail which has low charge state ions determined by an electrostatic ion analyzer even under the laser irradiation condition for highly charged ion production. This can be caused by insufficient laser absorption in plasma plume. This property might be suitable for low charge state ion production. We used a nanosecond laser and a sub-nanosecond laser for low charge state ion production to investigate the difference of generated plasma using the Zirconium target.
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
Heavily doped n-type PbSe and PbS nanocrystals using ground-state charge transfer from cobaltocene
Colloidal nanocrystals (NCs) of lead chalcogenides are a promising class of tunable infrared materials for applications in devices such as photodetectors and solar cells. Such devices typically employ electronic materials in which charge carrier concentrations are manipulated through “doping;” however, persistent electronic doping of these NCs remains a challenge. Here, we demonstrate that heavily doped n-type PbSe and PbS NCs can be realized utilizing ground-state electron transfer from cobaltocene. This allows injecting up to eight electrons per NC into the band-edge state and maintaining the doping level for at least a month at room temperature. Doping is confirmed by inter- and intra-band optical absorption, as well as by carrier dynamics. Finally, FET measurements of doped NC films and the demonstration of a p-n diode provide additional evidence that the developed doping procedure allows for persistent incorporation of electrons into the quantum-confined NC states.
36 MATERIALS SCIENCE↗
Temporal evolution of ion energy distribution functions and ion charge states of Cr and Cr-Al pulsed arc plasmas
To study the temporal evolution of ion energy distribution functions, charge-state-resolved ion energy distribution functions of pulsed arc plasmas from Cr and Cr-Al cathodes were recorded with high time resolution by using direct data acquisition from a combined energy and mass analyzer. The authors find increases in intensities of singly charged ions, which is evidence that charge exchange reactions took place in both Cr and Cr-Al systems. In Cr-Al plasmas, the distributions of high-charge-state ions exhibit high energy tails 50 μs after discharge ignition, but no such tails were observed at 500 μs. The energy ratios of ions of different charge states at the beginning of the pulse, when less neutral atoms were in the space in front of the cathode, suggest that ions are accelerated by an electric field. The situation is not so clear after 50 μs due to particle collisions. The initial mean ion charge state of Cr was about the same in Cr and in Cr-Al plasmas, but it decreased more rapidly in Cr-Al plasmas compared to the decay in Cr plasma. The faster decay of the mean ion charge state and ion energy caused by the addition of Al into a pure Cr cathode suggests that the mean ion charge state is determined not only by ionization processes at the cathode spot but also by inelastic collision between different elements.
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
Directional dependency of electronic stopping in nickel, projectile’s excited charge state and momentum transfer
Abstract We studied the directional dependency of electronic stopping power of swift light ions in nickel using real-time time-dependent density functional theory. We report a variation of electronic stopping for moving ions as the projectile probes different electronic densities of the host material. These results show that while the predicted magnitude stays in reasonable agreement with experiment, for $$v > 2$$ v > 2 . a.u. simulating only low index crystallographic directions is not enough to sample the experimental average values. The ab initio simulations give us access to microscopic quantities, such as non-adiabatic forces, momentum transfer and transient excited state charges of the projectile and host ions, which are not available through other methods. We report these quantities for the first time.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Charge state distribution and emission characteristics in a table top reflex discharge—Effect of ion confinement and electrons accelerated across the sheath
Tabletop reflex discharges in a Penning geometry have many applications including ion sources and eXtreme Ultra-Violet (XUV) sources. The presence of primary electrons accelerated across the cathode sheaths is responsible for the distribution of ion charge states and of the unusually high XUV brightness of these plasmas. Absolutely calibrated space resolved XUV spectra from a table top reflex discharge operating with Al cathodes and Ne gas are presented. The spectra are analyzed with a new and complete model for ion charge distribution in similar reflex discharges. The plasma in the discharge was found to have a density of ∼10{sup 18 }m{sup −3} with a significant fraction >0.01 of fast primary electrons. The implications of the new model on the ion states achievable in a tabletop reflex plasma discharge are also discussed.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Excited-State Charge Transfer in Push–Pull Platinum(II) π-Extended Porphyrins Fused with Pentacenequinone
Platinum(II) π-extended porphyrins fused with pentacenequinone and dihydropentacene have been successfully synthesized. These porphyrins were investigated using various techniques including absorption, steady-state, and time-resolved phosphorescence spectroscopy and differential pulse voltammetry. UV–vis absorption spectra of pentacenequinone-fused porphyrins (SW-Pt1 and SW-Pt2) showed unusually broad and nontypical absorption patterns. Phosphorescence spectra of SW-Pt1, SW-Pt2, and SW-Pt3 displayed similar emissions in the 704–706 nm region indicating electronic transitions of similar origin; however, the triplet lifetimes were found to be quenched in the case of both SW-Pt1 and SW-Pt2, suggesting the occurrence of excited-state events. Facile reductions were obtained for both the pentacene-quinone-fused monomer (SW-Pt2) and dimer (SW-Pt1) and were identified to be located at the pentacenequinone components. Here, the observed orbital segregations for SW-Pt2 and SW-Pt1 from DFT calculations supported the possibility of charge transfer in these push–pull systems. Interestingly, the established energy level diagram revealed that the charge transfer from the triplet excited Pt porphyrin is thermodynamically an uphill process. Systematic studies involving both femtosecond and nanosecond transient absorption techniques revealed that the singlet excited Pt porphyrins undergo an intermediate charge transfer state prior to populating the triplet state, providing a plausible explanation for phosphorescence quenching. The lifetime of the intermediate charge transfer states was found to be 25.9 and 5.68 ps, respectively, for SW-Pt1 and SW-Pt2.
Charge transfer↗
Top-Down Analysis of Proteins in Low Charge States
The impact of charging methods on the dissociation behavior of intact proteins in low charge states is investigated using HCD and 193 nm UVPD. Low charge states are produced for seven different proteins using the following four different methods: (1) proton transfer reactions of ions in high charge states generated from conventional denaturing solutions; (2) ESI of proteins in solutions of high ionic strength to enhance retention of folded native-like conformations; (3) ESI of proteins in high pH solutions to limit protonation; and (4) ESI of carbamylated proteins. Comparison of sequence coverages, degree of preferential cleavages, and types and distribution of fragment ions reveals a number of differences in the fragmentation patterns depending on the method used to generate the ions. More notable differences in these metrics are observed upon HCD than upon UVPD. The fragmentation caused by HCD is influenced more significantly by the presence/absence of mobile protons, a factor that modulates the degree of preferential cleavages and net sequence coverages. Carbamylation of the lysines and the N-terminus of the proteins alters the proton mobility by reducing the number of proton-sequestering, highly basic sites as evidenced by decreased preferential fragmentation C-terminal to Asp or N-terminal to Pro upon HCD. UVPD is less dependent on the method used to generate the low charge states and favors non-specific fragmentation, an outcome which is important for obtaining high sequence coverage of intact proteins. .
74 ATOMIC AND MOLECULAR PHYSICS↗
A steady-state picture of solar wind acceleration and charge state composition derived from a global wave-driven MHD model
The higher charge states found in slow (<400 km s{sup −1}) solar wind streams compared to fast streams have supported the hypothesis that the slow wind originates in closed coronal loops and is released intermittently through reconnection. Here we examine whether a highly ionized slow wind can also form along steady and open magnetic field lines. We model the steady-state solar atmosphere using the Alfvén Wave Solar Model (AWSoM), a global MHD model driven by Alfvén waves, and apply an ionization code to calculate the charge state evolution along modeled open field lines. This constitutes the first charge state calculation covering all latitudes in a realistic magnetic field. The ratios O{sup +7}/O{sup +6} and C{sup +6}/C{sup +5} are compared to in situ Ulysses observations and are found to be higher in the slow wind, as observed; however, they are underpredicted in both wind types. The modeled ion fractions of S, Si, and Fe are used to calculate line-of-sight intensities, which are compared to Extreme-ultraviolet Imaging Spectrometer (EIS) observations above a coronal hole. The agreement is partial and suggests that all ionization rates are underpredicted. Assuming the presence of suprathermal electrons improved the agreement with both EIS and Ulysses observations; importantly, the trend of higher ionization in the slow wind was maintained. The results suggest that there can be a sub-class of slow wind that is steady and highly ionized. Further analysis shows that it originates from coronal hole boundaries (CHBs), where the modeled electron density and temperature are higher than inside the hole, leading to faster ionization. This property of CHBs is global and observationally supported by EUV tomography.
79 ASTRONOMY AND ASTROPHYSICS↗
Photo‐Induced Charge State Dynamics of the Neutral and Negatively Charged Silicon Vacancy Centers in Room‐Temperature Diamond
Abstract The silicon vacancy (SiV) center in diamond is drawing much attention due to its optical and spin properties, attractive for quantum information processing and sensing. Comparatively little is known, however, about the dynamics governing SiV charge state interconversion mainly due to challenges associated with generating, stabilizing, and characterizing all possible charge states, particularly at room temperature. Here, multi‐color confocal microscopy and density functional theory are used to examine photo‐induced SiV recombination — from neutral, to single‐, to double‐negatively charged — over a broad spectral window in chemical‐vapor‐deposition (CVD) diamond under ambient conditions. For the SiV 0 to SiV ‐ transition, a linear growth of the photo‐recombination rate with laser power at all observed wavelengths is found, a hallmark of single photon dynamics. Laser excitation of SiV ‒ , on the other hand, yields only fractional recombination into SiV 2‒ , a finding that is interpreted in terms of a photo‐activated electron tunneling process from proximal nitrogen atoms.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Quantum dynamics of charge state in silicon field evaporation
The charge state of an ion field-evaporating from a silicon-atom cluster is analyzed using time-dependent density functional theory coupled to molecular dynamics. The final charge state of the ion is shown to increase gradually with increasing external electrostatic field in agreement with the average charge state of silicon ions detected experimentally. When field evaporation is triggered by laser-induced electronic excitations the charge state also increases with increasing intensity of the laser pulse. At the evaporation threshold, the charge state of the evaporating ion does not depend on the electrostatic field due to the strong contribution of laser excitations to the ionization process both at low and high laser energies. A neutral silicon atom escaping the cluster due to its high initial kinetic energy is shown to be eventually ionized by external electrostatic field.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
A vacuum spark ion source: High charge state metal ion beams
High ion charge state is often important in ion beam physics, among other reasons for the very practical purpose that it leads to proportionately higher ion beam energy for fixed accelerating voltage. The ion charge state of metal ion beams can be increased by replacing a vacuum arc ion source by a vacuum spark ion source. Since the voltage between anode and cathode remains high in a spark discharge compared to the vacuum arc, higher metal ion charge states are generated which can then be extracted as an ion beam. The use of a spark of pulse duration less than 10 μs and with current up to 10 kA allows the production of ion beams with current of several amperes at a pulse repetition rate of up to 5 pps. We have demonstrated the formation of high charge state heavy ions (bismuth) of up to 15 + and a mean ion charge state of more than 10 +. The physics and techniques of our vacuum spark ion source are described.
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
Solar energetic particle drifts and the energy dependence of 1 au charge states
The event-averaged charge state of heavy ion solar energetic particles (SEPs), measured at 1 au from the Sun, typically increases with the ions’ kinetic energy. The origin of this behavior has been ascribed to processes taking place within the acceleration region. In this paper we study the propagation through interplanetary space of SEP Fe ions, injected near the Sun with a variety of charge states that are uniformly distributed in energy, by means of a 3D test particle model. In our simulations, due to gradient and curvature drifts associated with the Parker spiral magnetic field, ions of different charge propagate with very different efficiencies to an observer that is not magnetically well connected to the source region. As a result we find that, for many observer locations, the 1 au event-averaged charge state 〈Q〉, as obtained from our model, displays an increase with particle energy E, in qualitative agreement with spacecraft observations. We conclude that drift-associated propagation is a possible explanation for the observed distribution of 〈Q〉 versus E in SEP events, and that the distribution measured in interplanetary space cannot be taken to represent that at injection.
79 ASTRONOMY AND ASTROPHYSICS↗
Charge state distributions in dense plasmas
Charge state distributions in hot, dense plasmas are a key ingredient in the calculation of spectral quantities like the opacity. However, they are challenging to calculate, as models like Saha–Boltzmann become unreliable for dense, quantum plasmas. Here, we present a new variational model for the charge state distribution, along with a simple model for the energy of the configurations that includes the orbital relaxation effect. Comparison with other methods reveals generally good agreement with average atom-based calculations, the breakdown of the Saha–Boltzmann method, and mixed agreement with a chemical model. We conclude that the new model gives a relatively inexpensive, but reasonably high fidelity method of calculating the charge state distribution in hot dense plasmas, in local thermodynamic equilibrium.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
THE CHARGE STATE OF POLYCYCLIC AROMATIC HYDROCARBONS ACROSS REFLECTION NEBULAE: PAH CHARGE BALANCE AND CALIBRATION
Low-resolution Spitzer spectral map data (>1700 spectra) of ten reflection nebulae (RNe) fields are analyzed using the data and tools available through the NASA Ames PAH IR Spectroscopic Database. The PAH emission is broken down into PAH charge state using a database fitting approach. Here, the physics of the PAH emission process is taken into account and uses target appropriate parameters, e.g., a stellar radiation model for the exciting star. The breakdown results are combined with results derived using the traditional PAH band strength approach, which interprets particular PAH band strength ratios as proxies for the PAH charge state, e.g., the 6.2/11.2 μ m PAH band strength ratio. These are successfully calibrated against their database equivalent; the PAH ionized fraction ( f {sub i} ). The PAH ionized fraction is converted into the PAH ionization parameter, which relates the PAH ionized fraction to the strength of the radiation field, gas temperature and electron density. The behavior of the 12.7 μ m PAH band is evaluated as a tracer for PAH ionization and erosion. The plot of the 8.6 versus 11.2 μ m PAH band strength for the northwest photo-dominated region (PDR) in NGC 7023 is shown to be a robust diagnostic template for the PAH ionized fraction. Remarkably, most of the other RNe fall within the limits set by NGC 7023. Finally, PAH spectroscopic templates are constructed and verified as principal components. Template spectra derived from NGC 7023 and NGC 2023 compare extremely well with each other, with those derived for NGC 7023 successfully reproducing the PAH emission observed from NGC 2023.
79 ASTRONOMY AND ASTROPHYSICS↗
The calculation of electron chemical potential and ion charge state and their influence on plasma conductivity in electrical explosion of metal wire
The electron chemical potential and ion charge state (average ion charge and ion distribution) are important parameters in calculating plasma conductivity in electrical explosion of metal wire. In this paper, the calculating method of electron chemical potential and ion charge state is discussed at first. For the calculation of electron chemical potential, the ideal free electron gas model and Thomas-Fermi model are compared and analyzed in terms of the coupling constant of plasma. The Thomas-Fermi ionization model, which is used to calculate ion charge state, is compared with the method based on Saha equation. Furthermore, the influence of electron degenerated energy levels and ion excited states in Saha equation on the ion charge state is also analyzed. Then the influence of different calculating methods of electron chemical potential and ion charge state on plasma conductivity is discussed by applying them in the Lee-More conductivity model.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗