Radiative heat transfer

CERN Document Server

Modest, Michael F

2013-01-01

The third edition of Radiative Heat Transfer describes the basic physics of radiation heat transfer. The book provides models, methodologies, and calculations essential in solving research problems in a variety of industries, including solar and nuclear energy, nanotechnology, biomedical, and environmental. Every chapter of Radiative Heat Transfer offers uncluttered nomenclature, numerous worked examples, and a large number of problems-many based on real world situations-making it ideal for classroom use as well as for self-study. The book's 24 chapters cover the four major areas in the field: surface properties; surface transport; properties of participating media; and transfer through participating media. Within each chapter, all analytical methods are developed in substantial detail, and a number of examples show how the developed relations may be applied to practical problems. It is an extensive solution manual for adopting instructors. Features: most complete text in the field of radiative heat transfer;...

Intramolecular Energy Transfer, Charge Transfer & Hydrogen Bond

Indian Academy of Sciences (India)

Ultrafast Dynamics of Chemical Reactions in Condensed Phase: Intramolecular Energy Transfer, Charge Transfer & Hydrogen Bond · PowerPoint Presentation · Slide 3 · Slide 4 · Slide 5 · Slide 6 · Slide 7 · Slide 8 · Slide 9 · Slide 10 · Slide 11 · Slide 12 · Slide 13 · Slide 14 · Slide 15 · Slide 16 · Slide 17 · Slide 18 · Slide 19.

Radiative loss and charge exchange in low energy Na - Ca+ collisions

Science.gov (United States)

McLaughlin, B. M.; McAlpine, K.; McCann, J. F.; Pattillo, R.; Stancil, P. C.; Forrey, R. C.; Babb, J. F.

2016-05-01

Experiments on radiative loss and capture are currently being performed at the University of Connecticut. In response to this experimental effort we have performed detailed calculations for a variety of loss and capture processes. Several low lying states of the NaCa+ cation are used with the accurate potentials energy curves, transition dipole moments and non-adiabatic coupling matrix elements between the states, obtained at the MRCI+Q level of approximation with the MOLPRO suite of quantum chemistry codes. Cross sections and rate coefficients are calculated for radiative charge transfer (RCX), radiative association (RA) and charge exchange in a fully quantum molecular close-coupling (MOCC) approximation at the higher energies. We use a variety of approaches, the optical potential method, semi-classical and MOCC methods to compare and contrast approximations. In addition a kinetic theory recently applied to SiO is utilized which illustrates the dramatic impact resonances have on the radiative association rates. Supported by NASA and HLRS at Stuttgart University.

Charge-Transfer Processes in Warm Dense Matter: Selective Spectral Filtering for Laser-Accelerated Ion Beams

Science.gov (United States)

Braenzel, J.; Barriga-Carrasco, M. D.; Morales, R.; Schnürer, M.

2018-05-01

We investigate, both experimentally and theoretically, how the spectral distribution of laser accelerated carbon ions can be filtered by charge exchange processes in a double foil target setup. Carbon ions at multiple charge states with an initially wide kinetic energy spectrum, from 0.1 to 18 MeV, were detected with a remarkably narrow spectral bandwidth after they had passed through an ultrathin and partially ionized foil. With our theoretical calculations, we demonstrate that this process is a consequence of the evolution of the carbon ion charge states in the second foil. We calculated the resulting spectral distribution separately for each ion species by solving the rate equations for electron loss and capture processes within a collisional radiative model. We determine how the efficiency of charge transfer processes can be manipulated by controlling the ionization degree of the transfer matter.

Electron transfer from H2 and Ar to stored multiply charged argon ions produced by synchrotron radiation

International Nuclear Information System (INIS)

Kravis, S.D.; Church, D.A.; Johnson, B.M.; Meron, M.; Jones, K.W.; Levin, J.C.; Sellin, I.A.; Azuma, Y.; Berrah-Mansour, N.; Berry, H.G.; Druetta, M.

1992-01-01

The rate coefficients for electron transfer from Ar and H 2 to Ar q+ ions (3≤q≤6) have been measured using an ion-storage technique in a Penning ion trap. The ions were produced in the trap by K-shell photoionization of Ar atoms, using broadband synchrotron x-ray radiation. K-electron removal resulted in vacancy cascading, yielding a distribution of argon-ion charge states peaked near Ar 4+ . The stored ion gas had an initial temperature near 480 K. The basic data determining the rate coefficients k(Ar q+ ) are the storage time constants of each charge state in the trap, in the presence of a measured pressure of target gas. The results of the measurements (in units of 10 -9 cm 3 s -1 ) are k(Ar 3+ ,H 2 )=4.3(0.7), k(Ar 3+ ,Ar)=1.6(0.2), k(Ar 4+ ,H 2 )=5.2(0.6), k(Ar 4+ ,Ar)=2.5(0.3), k(Ar 5+ ,H 2 )=5.9(0.7), k(Ar 5+ ,Ar)=2.9(0.3), k(Ar 6+ ,H 2 )=8.5(1.2), and k(Ar 6+ ,Ar)=2.5(0.3)

Charge orders in organic charge-transfer salts

International Nuclear Information System (INIS)

Kaneko, Ryui; Valentí, Roser; Tocchio, Luca F; Becca, Federico

2017-01-01

Motivated by recent experimental suggestions of charge-order-driven ferroelectricity in organic charge-transfer salts, such as κ -(BEDT-TTF) 2 Cu[N(CN) 2 ]Cl, we investigate magnetic and charge-ordered phases that emerge in an extended two-orbital Hubbard model on the anisotropic triangular lattice at 3/4 filling. This model takes into account the presence of two organic BEDT-TTF molecules, which form a dimer on each site of the lattice, and includes short-range intramolecular and intermolecular interactions and hoppings. By using variational wave functions and quantum Monte Carlo techniques, we find two polar states with charge disproportionation inside the dimer, hinting to ferroelectricity. These charge-ordered insulating phases are stabilized in the strongly correlated limit and their actual charge pattern is determined by the relative strength of intradimer to interdimer couplings. Our results suggest that ferroelectricity is not driven by magnetism, since these polar phases can be stabilized also without antiferromagnetic order and provide a possible microscopic explanation of the experimental observations. In addition, a conventional dimer-Mott state (with uniform density and antiferromagnetic order) and a nonpolar charge-ordered state (with charge-rich and charge-poor dimers forming a checkerboard pattern) can be stabilized in the strong-coupling regime. Finally, when electron–electron interactions are weak, metallic states appear, with either uniform charge distribution or a peculiar 12-site periodicity that generates honeycomb-like charge order. (paper)

Bond charges and electronic charge transfer in ternary semiconductors

International Nuclear Information System (INIS)

Pietsch, U.

1986-01-01

By means of a simple molecule-theoretic model of 'linear superposition of two-electron molecules' the bond charges between nearest neighbours and the effective charges of ions are calculated for ternary zinc-blende structure alloys as well as chalcopyrite semiconductors. Taking into account both, the charge transfer among the ions caused by the differences of electronegativities of atoms used and between the bonds created by the internal stress of the lattice a nearly unvaried averaged bond charge amount of the alloy is found, but rather dramatically changed local bond charge parameters in comparison with the respective values of binary compounds used. This fact should influence the noncentral force interaction in such semiconductors. (author)

Impact of charge-transfer excitons in regioregular polythiophene on the charge separation at polythiophene-fullerene heterojunctions

Science.gov (United States)

Polkehn, M.; Tamura, H.; Burghardt, I.

2018-01-01

This study addresses the mechanism of ultrafast charge separation in regioregular oligothiophene-fullerene assemblies representative of poly-3-hexylthiophene (P3HT)-[6,6]-phenyl-C61 butyric acid methyl ester (PCBM) heterojunctions, with special emphasis on the inclusion of charge transfer excitons in the oligothiophene phase. The formation of polaronic inter-chain charge separated species in highly ordered oligothiophene has been demonstrated in recent experiments and could have a significant impact on the net charge transfer to the fullerene acceptor. The present approach combines a first-principles parametrized multi-site Hamiltonian, based on time-dependent density functional theory calculations, with accurate quantum dynamics simulations using the multi-layer multi-configuration time-dependent Hartree method. Quantum dynamical studies are carried out for up to 182 electronic states and 112 phonon modes. The present analysis follows up on our previous study of (Huix-Rotllant et al 2015 J. Phys. Chem. Lett. 6 1702) and significantly expands the scope of this analysis by including the dynamical role of charge transfer excitons. Our investigation highlights the pronounced mixing of photogenerated Frenkel excitons with charge transfer excitons in the oligothiophene domain, and the opening of new transfer channels due the creation of such charge-separated species. As a result, it turns out that the interfacial donor/acceptor charge transfer state can be largely circumvented due to the presence of charge transfer excitons. However, the latter states in turn act as a trap, such that the free carrier yield observed on ultrafast time scales is tangibly reduced. The present analysis underscores the complexity of the transfer pathways at P3HT-PCBM type junctions.

Efficient charge generation by relaxed charge-transfer states at organic interfaces

KAUST Repository

Vandewal, Koen

2013-11-17

Interfaces between organic electron-donating (D) and electron-accepting (A) materials have the ability to generate charge carriers on illumination. Efficient organic solar cells require a high yield for this process, combined with a minimum of energy losses. Here, we investigate the role of the lowest energy emissive interfacial charge-transfer state (CT1) in the charge generation process. We measure the quantum yield and the electric field dependence of charge generation on excitation of the charge-transfer (CT) state manifold via weakly allowed, low-energy optical transitions. For a wide range of photovoltaic devices based on polymer:fullerene, small-molecule:C60 and polymer:polymer blends, our study reveals that the internal quantum efficiency (IQE) is essentially independent of whether or not D, A or CT states with an energy higher than that of CT1 are excited. The best materials systems show an IQE higher than 90% without the need for excess electronic or vibrational energy. © 2014 Macmillan Publishers Limited.

Efficient charge generation by relaxed charge-transfer states at organic interfaces

KAUST Repository

Vandewal, Koen; Albrecht, Steve N.; Hoke, Eric T.; Graham, Kenneth; Widmer, Johannes; Douglas, Jessica D.; Schubert, Marcel; Mateker, William R.; Bloking, Jason T.; Burkhard, George F.; Sellinger, Alan; Frechet, Jean; Amassian, Aram; Riede, Moritz Kilian; McGehee, Michael D.; Neher, Dieter; Salleo, Alberto

2013-01-01

Interfaces between organic electron-donating (D) and electron-accepting (A) materials have the ability to generate charge carriers on illumination. Efficient organic solar cells require a high yield for this process, combined with a minimum of energy losses. Here, we investigate the role of the lowest energy emissive interfacial charge-transfer state (CT1) in the charge generation process. We measure the quantum yield and the electric field dependence of charge generation on excitation of the charge-transfer (CT) state manifold via weakly allowed, low-energy optical transitions. For a wide range of photovoltaic devices based on polymer:fullerene, small-molecule:C60 and polymer:polymer blends, our study reveals that the internal quantum efficiency (IQE) is essentially independent of whether or not D, A or CT states with an energy higher than that of CT1 are excited. The best materials systems show an IQE higher than 90% without the need for excess electronic or vibrational energy. © 2014 Macmillan Publishers Limited.

The charge transfer structure and effective energy transfer in multiplayer assembly film

International Nuclear Information System (INIS)

Li Mingqiang; Jian Xigao

2005-01-01

Charge transfer multiplayer films have been prepared by layer-by-layer self-assembly technique. The films incorporate the rare-earth-containing polyoxometalate K 11 [Eu{PW 11 O 39 } 2 ].nH 2 O and the rich electron polyelectrolyte poly(3-viny-1-methyl-pyridine) quaternary ammonium and display a linear increase in the absorption and film thickness with the number of deposition cycles. Ultraviolet and visible absorption spectra, atomic force micrographs, small-angle X-ray reflectivity measurements, and photoluminescence spectra were used to determine the structure of films. Linear and regular multilayer growth was observed. We can observe the formation of charge transfer complex compound in multiplayer by layer-by-layer assembly method. Most importantly, the luminescence spectra show the charge transfer band in assembly films, which suggest that energy could be effectively transferred to rare earth ions in assembly multiplayer films

Two-Centre Close-Coupling method in charge transfer

Directory of Open Access Journals (Sweden)

Reza Bagheri

2017-09-01

Full Text Available In the present work, the transition matrix elements as well as differential and total scattering cross-sections for positronium formation in Positron-Hydrogen atom collision and hydrogen formation in Positronium-Hydrogen ion collision, through the charge transfer channel by Two-Centre Close-Coupling method up to a first order approximation have been calculated. The charge transfer collision is assumed to be a three-body reaction, while the projectile is a plane wave. Additionally, the hydrogen and positronium atoms are assumed, initially, to be in their ground states. For the case of charge transfer in the scattering of positron by hydrogen atoms, the differential cross sections are plotted for the energy range of 50eV to 10keV, where the Thomas peak is clearly observable. Finally, the total scattering cross-section for the charge transfer in the collision of Positron-Hydrogen and Positronium-Hydrogen ion are plotted as a function of projectile energies and compared with other methods in the literature.

Fast multilevel radiative transfer

International Nuclear Information System (INIS)

Paletou, Frederic; Leger, Ludovick

2007-01-01

The vast majority of recent advances in the field of numerical radiative transfer relies on approximate operator methods better known in astrophysics as Accelerated Lambda-Iteration (ALI). A superior class of iterative schemes, in term of rates of convergence, such as Gauss-Seidel and successive overrelaxation methods were therefore quite naturally introduced in the field of radiative transfer by Trujillo Bueno and Fabiani Bendicho [A novel iterative scheme for the very fast and accurate solution of non-LTE radiative transfer problems. Astrophys J 1995;455:646]; it was thoroughly described for the non-LTE two-level atom case. We describe hereafter in details how such methods can be generalized when dealing with non-LTE unpolarised radiation transfer with multilevel atomic models, in monodimensional geometry

Thermal radiation heat transfer

CERN Document Server

Howell, John R; Mengüç, M Pinar

2011-01-01

Providing a comprehensive overview of the radiative behavior and properties of materials, the fifth edition of this classic textbook describes the physics of radiative heat transfer, development of relevant analysis methods, and associated mathematical and numerical techniques. Retaining the salient features and fundamental coverage that have made it popular, Thermal Radiation Heat Transfer, Fifth Edition has been carefully streamlined to omit superfluous material, yet enhanced to update information with extensive references. Includes four new chapters on Inverse Methods, Electromagnetic Theory, Scattering and Absorption by Particles, and Near-Field Radiative Transfer Keeping pace with significant developments, this book begins by addressing the radiative properties of blackbody and opaque materials, and how they are predicted using electromagnetic theory and obtained through measurements. It discusses radiative exchange in enclosures without any radiating medium between the surfaces-and where heat conduction...

Engineering calculations in radiative heat transfer

CERN Document Server

Gray, W A; Hopkins, D W

1974-01-01

Engineering Calculations in Radiative Heat Transfer is a six-chapter book that first explains the basic principles of thermal radiation and direct radiative transfer. Total exchange of radiation within an enclosure containing an absorbing or non-absorbing medium is then described. Subsequent chapters detail the radiative heat transfer applications and measurement of radiation and temperature.

Collisional charging of individual submillimeter particles: Using ultrasonic levitation to initiate and track charge transfer

Science.gov (United States)

Lee, Victor; James, Nicole M.; Waitukaitis, Scott R.; Jaeger, Heinrich M.

2018-03-01

Electrostatic charging of insulating fine particles can be responsible for numerous phenomena ranging from lightning in volcanic plumes to dust explosions. However, even basic aspects of how fine particles become charged are still unclear. Studying particle charging is challenging because it usually involves the complexities associated with many-particle collisions. To address these issues, we introduce a method based on acoustic levitation, which makes it possible to initiate sequences of repeated collisions of a single submillimeter particle with a flat plate, and to precisely measure the particle charge in situ after each collision. We show that collisional charge transfer between insulators is dependent on the hydrophobicity of the contacting surfaces. We use glass, which we modify by attaching nonpolar molecules to the particle, the plate, or both. We find that hydrophilic surfaces develop significant positive charges after contacting hydrophobic surfaces. Moreover, we demonstrate that charging between a hydrophilic and a hydrophobic surface is suppressed in an acidic environment and enhanced in a basic one. Application of an electric field during each collision is found to modify the charge transfer, again depending on surface hydrophobicity. We discuss these results within the context of contact charging due to ion transfer, and we show that they lend strong support to O H- ions as the charge carriers.

Charge-transfer channel in quantum dot-graphene hybrid materials

Science.gov (United States)

Cao, Shuo; Wang, Jingang; Ma, Fengcai; Sun, Mengtao

2018-04-01

The energy band theory of a classical semiconductor can qualitatively explain the charge-transfer process in low-dimensional hybrid colloidal quantum dot (QD)-graphene (GR) materials; however, the definite charge-transfer channels are not clear. Using density functional theory (DFT) and time-dependent DFT, we simulate the hybrid QD-GR nanostructure, and by constructing its orbital interaction diagram, we show the quantitative coupling characteristics of the molecular orbitals (MOs) of the hybrid structure. The main MOs are derived from the fragment MOs (FOs) of GR, and the Cd13Se13 QD FOs merge with the GR FOs in a certain proportion to afford the hybrid system. Upon photoexcitation, electrons in the GR FOs jump to the QD FOs, leaving holes in the GR FOs, and the definite charge-transfer channels can be found by analyzing the complex MOs coupling. The excited electrons and remaining holes can also be localized in the GR or the QD or transfer between the QD and GR with different absorption energies. The charge-transfer process for the selected excited states of the hybrid QD-GR structure are testified by the charge difference density isosurface. The natural transition orbitals, charge-transfer length analysis and 2D site representation of the transition density matrix also verify the electron-hole delocalization, localization, or coherence chacracteristics of the selected excited states. Therefore, our research enhances understanding of the coupling mechanism of low-dimensional hybrid materials and will aid in the design and manipulation of hybrid photoelectric devices for practical application in many fields.

Influence of transfer gate design and bias on the radiation hardness of pinned photodiode CMOS image sensors

International Nuclear Information System (INIS)

Goiffon, V.; Estribeau, M.; Cervantes, P.; Molina, R.; Magnan, P.; Gaillardin, M.

2014-01-01

The effects of Cobalt 60 gamma-ray irradiation on pinned photodiode (PPD) CMOS image sensors (CIS) are investigated by comparing the total ionizing dose (TID) response of several transfer gate (TG) and PPD designs manufactured using a 180 nm CIS process. The TID induced variations of charge transfer efficiency (CTE), pinning voltage, equilibrium full well capacity (EFWC), full well capacity (FWC) and dark current measured on the different pixel designs lead to the conclusion that only three degradation sources are responsible for all the observed radiation effects: the pre-metal dielectric (PMD) positive trapped charge, the TG sidewall spacer positive trapped charge and, with less influence, the TG channel shallow trench isolation (STI) trapped charge. The different FWC evolutions with TID presented here are in very good agreement with a recently proposed analytical model. This work also demonstrates that the peripheral STI is not responsible for the observed degradations and thus that the enclosed layout TG design does not improve the radiation hardness of PPD CIS. The results of this study also lead to the conclusion that the TG OFF voltage bias during irradiation has no influence on the radiation effects. Alternative design and process solutions to improve the radiation hardness of PPD CIS are discussed. (authors)

Fast multilevel radiative transfer

Science.gov (United States)

Paletou, Frédéric; Léger, Ludovick

2007-01-01

The vast majority of recent advances in the field of numerical radiative transfer relies on approximate operator methods better known in astrophysics as Accelerated Lambda-Iteration (ALI). A superior class of iterative schemes, in term of rates of convergence, such as Gauss-Seidel and Successive Overrelaxation methods were therefore quite naturally introduced in the field of radiative transfer by Trujillo Bueno & Fabiani Bendicho (1995); it was thoroughly described for the non-LTE two-level atom case. We describe hereafter in details how such methods can be generalized when dealing with non-LTE unpolarised radiation transfer with multilevel atomic models, in monodimensional geometry.

Charge transfer reactions in Xe plasma expansion

International Nuclear Information System (INIS)

Jiao, C. Q.; Garscadden, A.; Ganguly, B. N.

2007-01-01

Charge transfer reactions of fast Xe ions with hydrocarbons including methane (CH 4 ), ethene (C 2 H 4 ), and propane (C 3 H 8 ) are studied by adding these hydrocarbon gases into a cross flowing Xe plasma expansion. Branching ratios and relative reaction rates for the charge transfers of fast Xe + with each of the three hydrocarbon gases are measured under different rf powers of the inductively coupled Xe discharge. For CH 4 /Xe system, we find that fast Xe + reacts readily with CH 4 generating CH 4 + and CH 3 + in a ratio of 1:0.56, with an estimated rate coefficient of (2.3±0.3)x10 -10 cm 3 /s at 75 W rf power which slowly increases to (2.9±0.3)x10 -10 cm 3 /s at 250 W (error bars reflect only the uncertainties due to the unknown extent of the ion recombination that follows the charge transfer reaction). These observed charge transfer reactions are made possible by the kinetically excited Xe ions produced by free expansion of the plasma. For the C 2 H 4 /Xe system product ions C 2 H 4 + and C 2 H 2 + are observed, and for C 3 H 8 /Xe, C 2 H 4 + and C 2 H 5 + and minor product ions including C 2 H 2 + and C 3 H 7 + are observed

Charge-transfer cross sections in collisions of ground-state Ca and H+

Science.gov (United States)

Dutta, C. M.; Oubre, C.; Nordlander, P.; Kimura, M.; Dalgarno, A.

2006-03-01

We have investigated collisions of Ca(4s2) with H+ in the energy range of 200eV/u-10keV/u using the semiclassical molecular-orbital close-coupling (MOCC) method with 18 coupled molecular states ( 11Σ+1 and seven Π+1 states) to determine charge-transfer cross sections. Except for the incoming channel 6Σ+1 , the molecular states all correspond to charge-transfer channels. Inclusion of Ca2+-H- is crucial in the configuration-interaction calculation for generating the molecular wave functions and potentials. Because of the Coulomb attraction, the state separating to Ca2+-H- creates many avoided crossings, even though at infinite separation it lies energetically above all other states that we included. Because of the avoided crossings between the incoming channel 6Σ+1 and the energetically close charge-transfer channel 7Σ+1 the charge-transfer interaction occurs at long range. This makes calculations of charge-transfer cross sections by the MOCC method very challenging. The total charge-transfer cross sections increase monotonically from 3.4×10-15cm2 at 200eV/u to 4.5×10-15cm2 at 10keV/u . Charge transfer occurs mostly to the excited Ca+(5p) state in the entire energy range, which is the sum of the charge transfer to 7Σ+1 and 4Π+1 . It accounts for ˜47% of the total charge transfer cross sections at 200eV/u . However, as the energy increases, transfer to Ca+(4d) increases, and at 10keV/u the charge-transfer cross sections for Ca+(5p) and Ca+(4d) become comparable, each giving ˜38% of the total cross section.

Charge-transfer cross sections in collisions of ground-state Ca and H+

International Nuclear Information System (INIS)

Dutta, C. M.; Oubre, C.; Nordlander, P.; Kimura, M.; Dalgarno, A.

2006-01-01

We have investigated collisions of Ca(4s 2 ) with H + in the energy range of 200 eV/u-10 keV/u using the semiclassical molecular-orbital close-coupling (MOCC) method with 18 coupled molecular states (11 1 Σ + and seven 1 Π + states) to determine charge-transfer cross sections. Except for the incoming channel 6 1 Σ + , the molecular states all correspond to charge-transfer channels. Inclusion of Ca 2+ -H - is crucial in the configuration-interaction calculation for generating the molecular wave functions and potentials. Because of the Coulomb attraction, the state separating to Ca 2+ -H - creates many avoided crossings, even though at infinite separation it lies energetically above all other states that we included. Because of the avoided crossings between the incoming channel 6 1 Σ + and the energetically close charge-transfer channel 7 1 Σ + the charge-transfer interaction occurs at long range. This makes calculations of charge-transfer cross sections by the MOCC method very challenging. The total charge-transfer cross sections increase monotonically from 3.4x10 -15 cm 2 at 200 eV/u to 4.5x10 -15 cm 2 at 10 keV/u. Charge transfer occurs mostly to the excited Ca + (5p) state in the entire energy range, which is the sum of the charge transfer to 7 1 Σ + and 4 1 Π + . It accounts for ∼47% of the total charge transfer cross sections at 200 eV/u. However, as the energy increases, transfer to Ca + (4d) increases, and at 10 keV/u the charge-transfer cross sections for Ca + (5p) and Ca + (4d) become comparable, each giving ∼38% of the total cross section

Quasi-resonant K-K charge transfer

International Nuclear Information System (INIS)

Hagmann, S.; Cocke, C.L.; Richard, P.; Skutlartz, A.; Kelbch, S.; Schmidt-Boecking, H.; Schuch, R.

1983-01-01

The impact parameter dependence, P(b), of single and double K to K charge transfer have been deduced from the coincidences between K-Auger electrons and scattered particles for F 9+ + Ne and F 9+ + Ne collisions at 10 MeV and 4.4 MeV. The 4.4 MeV single K-K transfer probability exhibits oscillations with b. The P(b) for delta-electron emission is also reported. To obtain more details on the mechanism, K-Auger electron-Ne recoil ion coincidences are measured for both F 8+ and F 9+ projectiles. The relative amounts of recoil ions and of satellite and hypersatellite Auger transitions vary substantially with projectile charge state. 11 references, 11 figures

Mass and charge transfer within a floating water bridge

Science.gov (United States)

Fuchs, Elmar C.; Agostinho, Luewton L. F.; Eisenhut, Mathias; Woisetschläger, Jakob

2010-11-01

When high voltage is applied to pure water filled into two beakers close to each other, a connection forms spontaneously, giving the impression of a floating water bridge 1-8. This phenomenon is of special interest, since it comprises a number of phenomena currently tackled in modern water science. In this work, the charge and mass transfer through the water bridge are investigated with schlieren visualization and laser interferometry. It can be shown that the addition of a pH dye increases the H+ and OH- production with subsequent electrolysis, whereas schlieren and interferometric methods reveal another mechanism where charge and mass transfer appear to be coupled. Whereas this mechanism seems to be responsible for the electrolysis-less charge and mass transfer in the water bridge, it is increasingly superseded by the electrochemical mechanism with rising conductivity. Thus it can be shown that a pH dye does only indirectly visualize the charge transfer in the water bridge since it is dragged along with the water flow like any other dye, and additionally promotes conventional electrochemical conduction mechanisms, thereby enhancing electrolysis and reducing the masscoupled charge transport and thus destabilizing the bridge.

Effects of Charge-Transfer Excitons on the Photophysics of Organic Semiconductors

Science.gov (United States)

Hestand, Nicholas J.

The field of organic electronics has received considerable attention over the past several years due to the promise of novel electronic materials that are cheap, flexible and light weight. While some devices based on organic materials have already emerged on the market (e.g. organic light emitting diodes), a deeper understanding of the excited states within the condensed phase is necessary both to improve current commercial products and to develop new materials for applications that are currently in the commercial pipeline (e.g. organic photovoltaics, wearable displays, and field effect transistors). To this end, a model for pi-conjugated molecular aggregates and crystals is developed and analyzed. The model considers two types of electronic excitations, namely Frenkel and charge-transfer excitons, both of which play a prominent role in determining the nature of the excited states within tightly-packed organic systems. The former consist of an electron-hole pair bound to the same molecule while in the later the electron and hole are located on different molecules. The model also considers the important nuclear reorganization that occurs when the system switches between electronic states. This is achieved using a Holstein-style Hamiltonian that includes linear vibronic coupling of the electronic states to the nuclear motion associated with the high frequency vinyl-stretching and ring-breathing modes. Analysis of the model reveals spectroscopic signatures of charge-transfer mediated J- and H-aggregation in systems where the photophysical properties are determined primarily by charge-transfer interactions. Importantly, such signatures are found to be sensitive to the relative phase of the intermolecular electron and hole transfer integrals, and the relative energy of the Frenkel and charge-transfer states. When the charge-transfer integrals are in phase and the energy of the charge-transfer state is higher than the Frenkel state, the system exhibits J

Visualization of Cerenkov radiation and the fields of a moving charge

International Nuclear Information System (INIS)

Pfeifer, Robert N C; Nieminen, Timo A

2006-01-01

For some physics students, the concept of a particle travelling faster than the speed of light holds endless fascination, and Cerenkov radiation is a visible consequence of a charged particle travelling through a medium at locally superluminal velocities. The Heaviside-Feynman equations for calculating the magnetic and electric fields of a moving charge have been known for many decades, but it is only recently that the computing power to plot the fields of such a particle has become readily available for student use. This paper investigates and illustrates the calculation of Maxwell's D field in homogeneous isotropic media for arbitrary, including superluminal, constant velocity, and uses the results as a basis for discussing energy transfer in the electromagnetic field

Charge transfer cross sections for dysprosium and cerium

Energy Technology Data Exchange (ETDEWEB)

Adachi, Hajime; Tamura, Koji; Okazaki, Tetsuji; Shibata, Takemasa [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

1998-06-01

Symmetric resonant charge transfer cross sections between singly ionized ions and the parent atoms were measured for dysprosium and cerium in the impact energy of 200-2000eV. The cross sections were determined from the ratio between the number of ions produced by charge transfer and those in primary ion beam. The primary ion beam was produced by a laser ion source in which their atoms were ionized by laser resonant photo-ionization. The slow ions produced by charge transfer and fast primary ions were detected with Faraday cups. The obtained cross sections were (1.82{+-}0.14) x 10{sup -14} cm{sup 2} for dysprosium and (0.88{+-}0.12) x 10{sup -14} cm{sup 2} for cerium in the above energy range. The difference of these values can mostly be explained by considering the electron configurations of these atoms and ions. (author)

Charge transfer cross sections for dysprosium and cerium

International Nuclear Information System (INIS)

Adachi, Hajime; Tamura, Koji; Okazaki, Tetsuji; Shibata, Takemasa

1998-06-01

Symmetric resonant charge transfer cross sections between singly ionized ions and the parent atoms were measured for dysprosium and cerium in the impact energy of 200-2000eV. The cross sections were determined from the ratio between the number of ions produced by charge transfer and those in primary ion beam. The primary ion beam was produced by a laser ion source in which their atoms were ionized by laser resonant photo-ionization. The slow ions produced by charge transfer and fast primary ions were detected with Faraday cups. The obtained cross sections were (1.82±0.14) x 10 -14 cm 2 for dysprosium and (0.88±0.12) x 10 -14 cm 2 for cerium in the above energy range. The difference of these values can mostly be explained by considering the electron configurations of these atoms and ions. (author)

Charge Transfer and Catalysis at the Metal Support Interface

Energy Technology Data Exchange (ETDEWEB)

Baker, Lawrence Robert [Univ. of California, Berkeley, CA (United States)

2012-07-31

Kinetic, electronic, and spectroscopic characterization of model Pt–support systems are used to demonstrate the relationship between charge transfer and catalytic activity and selectivity. The results show that charge flow controls the activity and selectivity of supported metal catalysts. This dissertation builds on extensive existing knowledge of metal–support interactions in heterogeneous catalysis. The results show the prominent role of charge transfer at catalytic interfaces to determine catalytic activity and selectivity. Further, this research demonstrates the possibility of selectively driving catalytic chemistry by controlling charge flow and presents solid-state devices and doped supports as novel methods for obtaining electronic control over catalytic reaction kinetics.

Charge-transfer modified embedded atom method dynamic charge potential for Li-Co-O system.

Science.gov (United States)

Kong, Fantai; Longo, Roberto C; Liang, Chaoping; Nie, Yifan; Zheng, Yongping; Zhang, Chenxi; Cho, Kyeongjae

2017-11-29

To overcome the limitation of conventional fixed charge potential methods for the study of Li-ion battery cathode materials, a dynamic charge potential method, charge-transfer modified embedded atom method (CT-MEAM), has been developed and applied to the Li-Co-O ternary system. The accuracy of the potential has been tested and validated by reproducing a variety of structural and electrochemical properties of LiCoO 2 . A detailed analysis on the local charge distribution confirmed the capability of this potential for dynamic charge modeling. The transferability of the potential is also demonstrated by its reliability in describing Li-rich Li 2 CoO 2 and Li-deficient LiCo 2 O 4 compounds, including their phase stability, equilibrium volume, charge states and cathode voltages. These results demonstrate that the CT-MEAM dynamic charge potential could help to overcome the challenge of modeling complex ternary transition metal oxides. This work can promote molecular dynamics studies of Li ion cathode materials and other important transition metal oxides systems that involve complex electrochemical and catalytic reactions.

Radiation and combined heat transfer in channels

International Nuclear Information System (INIS)

Tamonis, M.

1986-01-01

This book presents numerical methods of calculation of radiative and combined heat transfer in channel flows of radiating as well as nonradiating media. Results obtained in calculations for flow conditions of combustion products from organic fuel products are given and methods used in determining the spectral optical properties of molecular gases are analyzed. The book presents applications of heat transfer in solving problems. Topic covered are as follows: optical properties of molecular gases; transfer equations for combined heat transfer; experimental technique; convective heat transfer in heated gas flows; radiative heat transfer in gaseous media; combined heat transfer; and radiative and combined heat transfer in applied problems

Structural transition induced by charge-transfer in RbMn[Fe(CN) sub 6]. Investigation by synchrotron-radiation X-ray powder analysis

CERN Document Server

Moritomo, Y; Sakata, M; Kato, K; Kuriki, A; Tokoro, H; Ohkoshi, S I; Hashimoto, K

2002-01-01

Temperature dependence of atomic coordinates is determined for RbMn[Fe(CN) sub 6] by means of synchrotron-radiation (SR) X-ray powder structural analysis. We observed a structural transition from the cubic (F4-bar3m; Z=4) to the tetragonal (I4-barm2; Z=2) phase at approx. =210K in the cooling run and at approx. =300K in the warming run. In the low-temperature tetragonal phase, we found Jahn-Tellar type distortion of the MnN sub 6 octahedra and compression of the averaged Fe-C bond distance. These structural data suggest that the structural transition is triggered by the inter-metallic charge-transfer from the Mn(II) site to the Fe(III) site.

Voltammetry for the charge transfer at two immiscible electrolyte solutions interface

International Nuclear Information System (INIS)

Kihara, S.; Suzuki, M.; Maeda, K.; Ogura, K.; Matsui, M.; Yoshida, Z.

1989-01-01

The voltammetry for the charge transfer (VCT) at the interface of immicible solutions is a very powerful method for understanding the dynamic features of the charge transfer because of its unmatched advantage that the transfer energy and the number of charges transferred can be measured simultaneously and in situ. In the present paper, several novel systems for electron transfer are outlined, and the following topics are discussed based on results obtained by the current scan polarography at the solution dropping electrode developed as a technique for VCT: the relation between the half-wave potential in VCT for ion transfer and the characteristics of the ion transferred; the relation between the half-wave potential in VCT for electron transfer and the electrochemical nature of a redox couple added in water and that added in organic solution; and the ion transfer through a liquid membrane promoted by electron transfer. Observations are presented and discussion is made on the characteristics of ion transfer polarograms, those of electron transfer polarograms, and ion transfer promoted by electron transfer at a liquid/membrane interface. (N.K.)

Charge-transfer spectra of tetravalent lanthanide ions in oxides

NARCIS (Netherlands)

Hoefdraad, H.E.

The charge-transfer spectra of Ce4+, Pr4+ and Tb4+ in a number of oxides are reported. It is noted that the position of the first charge-transfer band is fixed for the metal ion in an oxygen coordination of VI, but varies in VIII coordination as a function of the host lattice. It is argued that this

Charge transfer induced activity of graphene for oxygen reduction

International Nuclear Information System (INIS)

Shen, Anli; Xia, Weijun; Dou, Shuo; Wang, Shuangyin; Zhang, Lipeng; Xia, Zhenhai

2016-01-01

Tetracyanoethylene (TCNE), with its strong electron-accepting ability, was used to dope graphene as a metal-free electrocatalyst for the oxygen reduction reaction (ORR). The charge transfer process was observed from graphene to TCNE by x-ray photoelectron spectroscopy and Raman characterizations. Our density functional theory calculations found that the charge transfer behavior led to an enhancement of the electrocatalytic activity for the ORR. (paper)

Does charge transfer correlate with ignition probability?

International Nuclear Information System (INIS)

Holdstock, Paul

2008-01-01

Flammable or explosive atmospheres exist in many industrial environments. The risk of ignition caused by electrostatic discharges is very real and there has been extensive study of the incendiary nature of sparks and brush discharges. It is clear that in order to ignite a gas, an amount of energy needs to be delivered to a certain volume of gas within a comparatively short time. It is difficult to measure the energy released in an electrostatic discharge directly, but it is possible to approximate the energy in a spark generated from a well defined electrical circuit. The spark energy required to ignite a gas, vapour or dust cloud can be determined by passing such sparks through them. There is a relationship between energy and charge in a capacitive circuit and so it is possible to predict whether or not a spark discharge will cause an ignition by measuring the charge transferred in the spark. Brush discharges are in many ways less well defined than sparks. Nevertheless, some work has been done that has established a relationship between charge transferred in brush discharges and the probability of igniting a flammable atmosphere. The question posed by this paper concerns whether such a relationship holds true in all circumstances and if there is a universal correlation between charge transfer and ignition probability. Data is presented on discharges from textile materials that go some way to answering this question.

Scaling of the helium--nitrogen charge transfer laser

International Nuclear Information System (INIS)

Collins, C.B.; Cunningham, A.J.

1975-01-01

The scaling to high powers of the nitrogen ion laser pumped by charge transfer from He + 2 is reported. Intense emission has been found from three laser lines at 3914, 4278, and 4709 A upon discharge of a fast-pulsed electron beam gun, APEX-1, into several atmospheres of a mixture of helium and nitrogen. Excitation current densities were 1.3 kA/cm 2 at 1 MV over a 1times10-cm transverse geometry. The efficiency of the 4278-A laser emission was found to be proportional to the total pressure raised to the 1.2 power. Outputs of 36 mJ have been obtained from the 16-cm 3 working volume at 30-atm pressure and a peak efficiency of 1.6% relative to the energy lost by the electron beam in this radiating volume has been achieved

Enhancing SERS by Means of Supramolecular Charge Transfer

Science.gov (United States)

Wong, Eric; Flood, Amar; Morales, Alfredo

2009-01-01

In a proposed method of sensing small quantities of molecules of interest, surface enhanced Raman scattering (SERS) spectroscopy would be further enhanced by means of intermolecular or supramolecular charge transfer. There is a very large potential market for sensors based on this method for rapid detection of chemical and biological hazards. In SERS, the Raman signals (vibrational spectra) of target molecules become enhanced by factors of the order of 108 when those molecules are in the vicinities of nanostructured substrate surfaces that have been engineered to have plasmon resonances that enhance local electric fields. SERS, as reported in several prior NASA Tech Briefs articles and elsewhere, has remained a research tool and has not yet been developed into a practical technique for sensing of target molecules: this is because the short range (5 to 20 nm) of the field enhancement necessitates engineering of receptor molecules to attract target molecules to the nanostructured substrate surfaces and to enable reliable identification of the target molecules in the presence of interferants. Intermolecular charge-transfer complexes have been used in fluorescence-, photoluminescence-, and electrochemistry-based techniques for sensing target molecules, but, until now, have not been considered for use in SERS-based sensing. The basic idea of the proposed method is to engineer receptor molecules that would be attached to nanostructured SERS substrates and that would interact with the target molecules to form receptor-target supramolecular charge-transfer complexes wherein the charge transfer could be photoexcited.

Spectroscopic and theoretical investigations on intramolecular charge transfer phenomenon in 1-3-dioxolane derivative

Science.gov (United States)

Zhang, Zhiyong; Zhang, Zhongzhi; Luo, Yijing; Sun, Shanshan; Zhang, Guangqing

2018-02-01

High fluorescence quantum yield (FQY) and large Stokes shift (SS) cannot be easily achieved simultaneously by traditional PICT or TICT fluorescent probe. However, an 1-3-dioxolane derivative named 5-methyl-8,9-dihydro-5H-[1,3]dioxolo[4,5-b]carbazol-6(7H)-one (MDDCO) features both high FQY and large SS. The purpose of this study is to search the mechanism behind this phenomenon by theoretical method. Simulated structure changes and charge transfer suggest ICT process in MDDCO is similar to PLICT (Planarized Intramolecular Charge Transfer) process. Calculated UV-Vis spectra and fluorescence spectra show that PLICT-like state (S1 state) of MDDCO leads to large SS. Computed transient-absorption spectra and radiative decay rates indicate that PLICT-like state is key factor for high FQY of MDDCO. These findings suggest that PLICT-like state in 1,3-dioxolane derivatives can achieve both large SS and high FQY, which presents a new method for high-performance fluorescent probe design.

Integer Charge Transfer and Hybridization at an Organic Semiconductor/Conductive Oxide Interface

KAUST Repository

Gruenewald, Marco; Schirra, Laura K.; Winget, Paul; Kozlik, Michael; Ndione, Paul F.; Sigdel, Ajaya K.; Berry, Joseph J.; Forker, Roman; Bredas, Jean-Luc; Fritz, Torsten; Monti, Oliver L. A.

2015-01-01

with localized states (the shallow donors) in the substrate and charge back-donation, resulting in an effectively integer charge transfer across the interface. Charge transfer is thus not merely a question of locating the Fermi level above the PTCDA electron

Proton transfer to charged platinum electrodes. A molecular dynamics trajectory study.

Science.gov (United States)

Wilhelm, Florian; Schmickler, Wolfgang; Spohr, Eckhard

2010-05-05

A recently developed empirical valence bond (EVB) model for proton transfer on Pt(111) electrodes (Wilhelm et al 2008 J. Phys. Chem. C 112 10814) has been applied in molecular dynamics (MD) simulations of a water film in contact with a charged Pt surface. A total of seven negative surface charge densities σ between -7.5 and -18.9 µC cm(-2) were investigated. For each value of σ, between 30 and 84 initial conditions of a solvated proton within a water slab were sampled, and the trajectories were integrated until discharge of a proton occurred on the charged surfaces. We have calculated the mean rates for discharge and for adsorption of solvated protons within the adsorbed water layer in contact with the metal electrode as a function of surface charge density. For the less negative values of σ we observe a Tafel-like exponential increase of discharge rate with decreasing σ. At the more negative values this exponential increase levels off and the discharge process is apparently transport limited. Mechanistically, the Tafel regime corresponds to a stepwise proton transfer: first, a proton is transferred from the bulk into the contact water layer, which is followed by transfer of a proton to the charged surface and concomitant discharge. At the more negative surface charge densities the proton transfer into the contact water layer and the transfer of another proton to the surface and its discharge occur almost simultaneously.

Phonons and charge-transfer excitations in HTS superconductors

International Nuclear Information System (INIS)

Bishop, A.R.

1989-01-01

Some of the experimental and theoretical evidence implicating phonons and charge-transfer excitations in HTS superconductors is reviewed. It is suggested that superconductivity may be driven by a synergistic interplay of (anharmonic) phonons and electronic degrees of freedom (e.g., charge fluctuations, excitons). 47 refs., 5 figs

Photoinduced partial charge transfer between conjugated polymer and fullerene in solutions

International Nuclear Information System (INIS)

Lin Hongzhen; Weng Yufeng; Huang Hongmin; He Qingguo; Zheng Min; Bai Fenglian

2004-01-01

Photoinduced charge transfer between a conjugated polymer and C 60 and the related processes were investigated in dilute solutions. The substantial fluorescence quenching is correlated with the efficient exciton diffusion within the polymer chains, according to which a sphere-of-action mechanism is proposed. An emissive exciplex was found formed between the conjugated polymer and fullerene in a nonpolar solvent, indicating the occurrence of a photoinduced partial charge transfer process. The low-energy sites in the polymer are believed to play a crucial role in the partial charge transfer. The asymmetry of the exciplex provides a method for evaluating the tendency of photoinduced charge separation between the donor and the acceptor. This method allows screening candidates for photovoltaic applications

International symposium on radiative heat transfer: Book of abstracts

International Nuclear Information System (INIS)

1995-01-01

The international symposium on radiative heat transfer was held on 14-18 August 1995 Turkey. The specialists discussed radiation transfer in materials processing and manufacturing, solution of radiative heat transfer equation, transient radiation problem and radiation-turbulence interactions, raditive properties of gases, atmospheric and stellar radiative transfer , radiative transfer and its applications, optical and radiative properties of soot particles, inverse radiation problems, partticles, fibres,thermophoresis and waves and modelling of comprehensive systems at the meeting. Almost 79 papers were presented in the meeting

Complexes with charge transfer and ion-radical salts in catalysis

Energy Technology Data Exchange (ETDEWEB)

Krylov, O V [AN SSSR, Moscow. Inst. Khimicheskoj Fiziki

1978-01-01

Considered are the data experimentally proving formation of complexes with charge transfer as intermediate complexes in homogeneous and heterogeneous catalysis. Catalytic activity correlations with charge transfer energy (and in heterogeneous catalysis with width of semiconductor forbidden band can be useful while selection of catalysts (MoO/sub 3//MgO; V/sub 2/O/sub 5//MgO; MoO/sub 3//Al/sub 2/O/sub 3/; V/sub 2/O/sub 5//Al/sub 2/O/sub 3/). A review of papers on catalytic activity of the previously prepared complexes with charge transfer and ion-radical salts is given. The use of alkali metal complexes with aromatic compounds showed their high activity in hydrogenation reactions and proved principle possibility of activation of hydrogen and hydrocarbons by the systems which do not contain transfer metals.

Essentials of radiation heat transfer

CERN Document Server

Balaji

2014-01-01

Essentials of Radiation Heat Transfer is a textbook presenting the essential, fundamental information required to gain an understanding of radiation heat transfer and equips the reader with enough knowledge to be able to tackle more challenging problems. All concepts are reinforced by carefully chosen and fully worked examples, and exercise problems are provided at the end of every chapter. In a significant departure from other books on this subject, this book completely dispenses with the network method to solve problems of radiation heat transfer in surfaces. It instead presents the powerful radiosity-irradiation method and shows how this technique can be used to solve problems of radiation in enclosures made of one to any number of surfaces. The network method is not easily scalable. Secondly, the book introduces atmospheric radiation, which is now being considered as a potentially important area, in which engineers can contribute to the technology of remote sensing and atmospheric sciences in general, b...

Light scattering reviews 8 radiative transfer and light scattering

CERN Document Server

Kokhanovsky, Alexander A

2013-01-01

Light scattering review (vol 8) is aimed at the presentation of recent advances in radiative transfer and light scattering optics. The topics to be covered include: scattering of light by irregularly shaped particles suspended in atmosphere (dust, ice crystals), light scattering by particles much larger as compared the wavelength of incident radiation, atmospheric radiative forcing, astrophysical radiative transfer, radiative transfer and optical imaging in biological media, radiative transfer of polarized light, numerical aspects of radiative transfer.

A new technique for the study of charge transfer in multiply charged ion-ion collisions

International Nuclear Information System (INIS)

Shinpaugh, J.L.; Meyer, F.W.; Datz, S.

1994-01-01

While large cross sections (>10 -16 cm 2 ) have been predicted for resonant charge transfer in ion-ion collisions, no experimental data exist for multiply charged systems. A novel technique is being developed at the ORNL ECR facility to allow study of symmetric charge exchange in multiply charged ion-ion collisions using a single ion source. Specific intra-beam charge transfer collisions occurring in a well-defined interaction region labeled by negative high voltage are identified and analyzed by electrostatic analysis in combination with ion time-of-flight coincidence detection of the collision products. Center-of-mass collision energies from 400 to 1000 eV are obtained by varying source and labeling-cell voltages. In addition, by the introduction of a target gas into the high-voltage cell, this labeling-voltage method allows measurement of electron-capture and -loss cross sections for ion-atom collisions. Consequently, higher collision energies can be investigated without the requirement of placing the ECR source on a high-voltage platform

21 CFR 892.5050 - Medical charged-particle radiation therapy system.

Science.gov (United States)

2010-04-01

...-particle radiation therapy system. (a) Identification. A medical charged-particle radiation therapy system... 21 Food and Drugs 8 2010-04-01 2010-04-01 false Medical charged-particle radiation therapy system... equipment, patient and equipment supports, treatment planning computer programs, component parts, and...

Measurement and investigation of proton irradiation-induced charge transfer inefficiency in PPD CIS at different integration times

Science.gov (United States)

Xue, Yuanyuan; Wang, Zujun; Zhang, Fengqi; Bian, Jingying; Yao, Zhibin; He, Baoping; Liu, Minbo; Sheng, Jiangkun; Ma, Wuying; Dong, Guantao; Jin, Junshan

2018-04-01

Charge transfer inefficiency (CTI) is an important parameter for photodiode (PPD) CMOS image sensors (CISs). A test system was built and used to measure the CTI of PPD CIS devices at different integration times. The radiation effects of 3 MeV and 10 MeV protons on the CTI were investigated. The experiments were carried out at the EN Tandem Van de Graaff accelerator at proton fluences in the range 1010 to 1011 p/cm2. The CTI was measured within the 2 h following proton radiations. The dependence of CTI on integration time, proton energy and fluence were investigated. The CTI was observed to increase after proton irradiation: with the effect of irradiation with 3 MeV proton being more severe than that with 10 MeV protons. The CTI was also observed to decrease with increasing integration time, which is thought to be related to the charge density in the space charge region (SCR) of the CIS devices. This work has provided a simple method to measure the CTI and helped us to understand proton radiation effects on the CTI of PPD CISs.

Theoretical treatment of charge transfer processes of relevance to astrophysics

Energy Technology Data Exchange (ETDEWEB)

Krstic, P.S.; Stancil, P.C.; Schultz, D.R.

1997-12-01

Charge transfer is an important process in many astrophysical and atmospheric environments. While numerous experimental and theoretical studies exist for H and He targets, data on other targets, particularly metals and molecules, are sparse. Using a variety of theoretical methods and computational techniques the authors are developing methods to estimate the cross sections for electron capture (charge transfer) in slow collisions of low charge state ions with heavy (Mg, Ca, Fe, Co, Ni and Zn) neutrals. In this ongoing work particular attention is paid to ascertaining the importance of double electron capture.

Theoretical treatment of charge transfer processes of relevance to astrophysics

International Nuclear Information System (INIS)

Krstic, P.S.; Stancil, P.C.; Schultz, D.R.

1997-12-01

Charge transfer is an important process in many astrophysical and atmospheric environments. While numerous experimental and theoretical studies exist for H and He targets, data on other targets, particularly metals and molecules, are sparse. Using a variety of theoretical methods and computational techniques the authors are developing methods to estimate the cross sections for electron capture (charge transfer) in slow collisions of low charge state ions with heavy (Mg, Ca, Fe, Co, Ni and Zn) neutrals. In this ongoing work particular attention is paid to ascertaining the importance of double electron capture

Charge-transfer collisions for polarized ion sources

International Nuclear Information System (INIS)

Schlachter, A.S.

1983-06-01

Charge-transfer processes relevant to polarized ion sources are discussed and results are summarized. The primary atom discussed is hydrogen, with particulr emphasis on H - formation. Heavier negative ions are briefly discussed

Molecular orbital (SCF-Xα-SW) theory of metal-metal charge transfer processes in minerals - II. Application to Fe2+ --> Ti4+ charge transfer transitions in oxides and silicates

Science.gov (United States)

Sherman, David M.

1987-01-01

A molecular orbital description, based on Xα-Scattered wave calculations on a (FeTiO10)14− cluster, is given for Fe2+ → Ti4+ charge transfer transitions in minerals. The calculated energy for the lowest Fe2+ → Ti4+ metal-metal charge transfer transition is 18040 cm−1 in reasonable agreement with energies observed in the optical spectra of Fe-Ti oxides and silicates. As in the case of Fe2+ → Fe3+ charge transfer in mixed-valence iron oxides and silicates, Fe2+ → Ti4+ charge transfer is associated with Fe-Ti bonding across shared polyhedral edges. Such bonding results from the overlap of the Fe(t 2g ) and Ti(t 2g ) 3d orbitals.

Low-Energy Charge Transfer in Multiply-Charged Ion-Atom Collisions Studied with the Combined SCVB-MOCC Approach

Directory of Open Access Journals (Sweden)

B. Zygelman

2002-03-01

Full Text Available A survey of theoretical studies of charge transfer involving collisions of multiply-charged ions with atomic neutrals (H and He is presented. The calculations utilized the quantum-mechanical molecular-orbital close-coupling (MOCC approach where the requisite potential curves and coupling matrix elements have been obtained with the spin-coupled valence bond (SCVB method. Comparison is made among various collision partners, for equicharged systems, where it is illustrated that even for total charge transfer cross sections, scaling-laws do not exist for low-energy collisions (i.e. < 1 keV/amu. While various empirical scaling-laws are well known in the intermediateand high-energy regimes, the multi-electron configurations of the projectile ions results in a rich and varied low-energy dependence, requiring an explicit calculation for each collision-partner pair. Future charge transfer problems to be addressed with the combined SCVB-MOCC approach are briefly discussed.

Radiative transfer on discrete spaces

CERN Document Server

Preisendorfer, Rudolph W; Stark, M; Ulam, S

1965-01-01

Pure and Applied Mathematics, Volume 74: Radiative Transfer on Discrete Spaces presents the geometrical structure of natural light fields. This book describes in detail with mathematical precision the radiometric interactions of light-scattering media in terms of a few well established principles.Organized into four parts encompassing 15 chapters, this volume begins with an overview of the derivations of the practical formulas and the arrangement of formulas leading to numerical solution procedures of radiative transfer problems in plane-parallel media. This text then constructs radiative tran

Charge transfer and ionization occurring in proton- and helium ion-atom collisions

International Nuclear Information System (INIS)

DuBois, R.D.

1985-12-01

Two examples are presented where specific channels have been identified that are responsible for single and double target ionization via direct coulomb ionization or charge transfer processes. Using ratios of absolute cross sections that have been measured for these processes it was shown that an independent electron model should be appropriate for calculating direct double target ionization but generally appears to be inadequate in calculating charge transfer plus ionization and double charge transfer cross sections. At present such detailed information can be obtained only in limited cases. However cross sections with detailed final charge state information should provide stringent tests for present and future theoretical work. 22 refs., 2 figs

Computational Approach to Electron Charge Transfer Reactions

DEFF Research Database (Denmark)

Jónsson, Elvar Örn

-molecular mechanics scheme, and tools to analyse statistical data and generate relative free energies and free energy surfaces. The methodology is applied to several charge transfer species and reactions in chemical environments - chemical in the sense that solvent, counter ions and substrate surfaces are taken...... in to account - which directly influence the reactants and resulting reaction through both physical and chemical interactions. All methods are though general and can be applied to different types of chemistry. First, the basis of the various theoretical tools is presented and applied to several test systems...... and asymmetric charge transfer reactions between several first-row transition metals in water. The results are compared to experiments and rationalised with classical analytic expressions. Shortcomings of the methods are accounted for with clear steps towards improved accuracy. Later the analysis is extended...

Charge transfer properties of pentacene adsorbed on silver: DFT study

Energy Technology Data Exchange (ETDEWEB)

N, Rekha T.; Rajkumar, Beulah J. M., E-mail: beulah-rajkumar@yahoo.co.in [PG & Research Department of Physics, Lady Doak College, Madurai 625002 (India)

2015-06-24

Charge transfer properties of pentacene adsorbed on silver is investigated using DFT methods. Optimized geometry of pentacene after adsorption on silver indicates distortion in hexagonal structure of the ring close to the silver cluster and deviations in co-planarity of carbon atoms due to the variations in bond angles and dihedral angles. Theoretically simulated absorption spectrum has a symmetric surface plasmon resonance peak around 486nm corresponding to the transfer of charge from HOMO-2 to LUMO. Theoretical SERS confirms the process of adsorption, tilted orientation of pentacene on silver surface and the charge transfers reported. Localization of electron density arising from redistribution of electrostatic potential together with a reduced bandgap of pentacene after adsorption on silver suggests its utility in the design of electro active organic semiconducting devices.

Dynamical interaction of He atoms with metal surfaces: Charge transfer processes

International Nuclear Information System (INIS)

Flores, F.; Garcia Vidal, F.J.; Monreal, R.

1993-01-01

A self-consistent Kohn-Sham LCAO method is presented to calculate the charge transfer processes between a He * -atom and metal surfaces. Intra-atomic correlation effects are taken into account by considering independently each single He-orbital and by combining the different charge transfer processes into a set of dynamical rate equations for the different ion charge fractions. Our discussion reproduces qualitatively the experimental evidence and gives strong support to the method presented here. (author). 24 refs, 4 figs

Non-Markovian reduced dynamics of ultrafast charge transfer at an oligothiophene–fullerene heterojunction

Energy Technology Data Exchange (ETDEWEB)

Hughes, Keith H., E-mail: keith.hughes@bangor.ac.uk [School of Chemistry, Bangor University, Bangor, Gwynedd LL57 2UW (United Kingdom); Cahier, Benjamin [School of Chemistry, Bangor University, Bangor, Gwynedd LL57 2UW (United Kingdom); Martinazzo, Rocco [Dipartimento di Chimica Università degli Studi di Milano, v. Golgi 19, 20133 Milano (Italy); Tamura, Hiroyuki [WPI-Advanced Institute for Material Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan); Burghardt, Irene [Institute of Physical and Theoretical Chemistry, Goethe University Frankfurt, Max-von-Laue-Str. 7, 60438 Frankfurt/Main (Germany)

2014-10-17

Highlights: • Quantum dynamical study of exciton dissociation at a heterojunction interface. • The non-Markovian quantum dynamics involves a highly structured spectral density. • Spectral density is reconstructed from an effective mode transformation of the Hamiltonian. • The dynamics is studied using the hierarchical equations of motion approach. • It was found that the temperature has little effect on the charge transfer. - Abstract: We extend our recent quantum dynamical study of the exciton dissociation and charge transfer at an oligothiophene–fullerene heterojunction interface (Tamura et al., 2012) [6] by investigating the process using the non-perturbative hierarchical equations of motion (HEOM) approach. Based upon an effective mode reconstruction of the spectral density the effect of temperature on the charge transfer is studied using reduced density matrices. It was found that the temperature had little effect on the charge transfer and a coherent dynamics persists over the first few tens of femtoseconds, indicating that the primary charge transfer step proceeds by an activationless pathway.

Crystal growth of new charge-transfer salts based on π-conjugated donor molecules

Energy Technology Data Exchange (ETDEWEB)

Morherr, Antonia, E-mail: morherr@stud.uni-frankfurt.de [Physikalisches Institut, Goethe-Universität Frankfurt am Main, 60438 Frankfurt am Main (Germany); Witt, Sebastian [Physikalisches Institut, Goethe-Universität Frankfurt am Main, 60438 Frankfurt am Main (Germany); Chernenkaya, Alisa [Graduate School Materials Science in Mainz, 55128 Mainz (Germany); Institut für Physik, Johannes Gutenberg-Universität, 55099 Mainz (Germany); Bäcker, Jan-Peter [Physikalisches Institut, Goethe-Universität Frankfurt am Main, 60438 Frankfurt am Main (Germany); Schönhense, Gerd [Institut für Physik, Johannes Gutenberg-Universität, 55099 Mainz (Germany); Bolte, Michael [Institut für anorganische Chemie, Goethe-Universität Frankfurt am Main, 60438 Frankfurt am Main (Germany); Krellner, Cornelius [Physikalisches Institut, Goethe-Universität Frankfurt am Main, 60438 Frankfurt am Main (Germany)

2016-09-01

New charge transfer crystals of π-conjugated, aromatic molecules (phenanthrene and picene) as donors were obtained by physical vapor transport. The melting behavior, optimization of crystal growth and the crystal structure are reported for charge transfer salts with (fluorinated) tetracyanoquinodimethane (TCNQ-F{sub x}, x=0, 2, 4), which was used as acceptor material. The crystal structures were determined by single-crystal X-ray diffraction. Growth conditions for different vapor pressures in closed ampules were applied and the effect of these starting conditions for crystal size and quality is reported. The process of charge transfer was investigated by geometrical analysis of the crystal structure and by infrared spectroscopy on single crystals. With these three different acceptor strengths and the two sets of donor materials, it is possible to investigate the distribution of the charge transfer systematically. This helps to understand the charge transfer process in this class of materials with π-conjugated donor molecules.

High Pressure Optical Studies of the Thallous Halides and of Charge-Transfer Complexes

Science.gov (United States)

Jurgensen, Charles Willard

High pressure was used to study the insulator -to-metal transition in sulfur and the thallous halides and to study the intermolecular interactions in charge -transfer complexes. The approach to the band overlap insulator -to-metal transition was studied in three thallous halides and sulfur by optical absorption measurements of the band gap as a function of pressure. The band gap of sulfur continuously decreases with pressure up to the insulator -to-metal transition which occurs between 450 and 485 kbars. The results on the thallous halides indicate that the indirect gap decreases more rapidly than the direct gap; the closing of the indirect gap is responsible for the observed insulator -to-metal transitions. High pressure electronic and vibrational spectroscopic measurements on the solid-state complexes of HMB-TCNE were used to study the intermolecular interactions of charge -transfer complexes. The vibrational frequency shifts indicate that the degree of charge transfer increases with pressure which is independently confirmed by an increase in the molar absorptivity of the electronic charge-transfer peak. Induction and dispersion forces contribute towards a red shift of the charge-transfer peak; however, charge-transfer resonance contributes toward a blue shift and this effect is dominant for the HMB-TCNE complexes. High pressure electronic spectra were used to study the effect of intermolecular interactions on the electronic states of TCNQ and its complexes. The red shifts with pressure of the electronic spectra of TCNQ and (TCNQ)(' -) in polymer media and of crystalline TCNQ can be understood in terms of Van der Waals interactions. None of the calculations which considered intradimer distance obtained the proper behavior for either the charge-transfer of the locally excited states of the complexes. The qualitative behavior of both states can be interpreted as the effect of increased mixing of the locally excited and charge transfer states.

Experimental evidence of state-selective charge transfer in inductively coupled plasma-atomic emission spectrometry

International Nuclear Information System (INIS)

Chan, George C.-Y.; Hieftje, Gary M.

2004-01-01

State-selective charge-transfer behavior was observed for Fe, Cr, Mn and Cu in inductively coupled plasma (ICP)-atomic emission spectrometry. Charge transfer from Ar + to Fe, Cr and Mn is state-selective because of inefficient collisional mixing of the quasiresonant charge-transfer energy levels with nearby levels. This low efficiency is the consequence of differences in electronic configuration of the core electrons. The reason for state-selective charge-transfer behavior to Cu is not clear, although a tentative explanation based on efficiency of intramultiplet and intermultiplet mixing for this special case is offered

Robust Stacking-Independent Ultrafast Charge Transfer in MoS2/WS2 Bilayers.

Science.gov (United States)

Ji, Ziheng; Hong, Hao; Zhang, Jin; Zhang, Qi; Huang, Wei; Cao, Ting; Qiao, Ruixi; Liu, Can; Liang, Jing; Jin, Chuanhong; Jiao, Liying; Shi, Kebin; Meng, Sheng; Liu, Kaihui

2017-12-26

Van der Waals-coupled two-dimensional (2D) heterostructures have attracted great attention recently due to their high potential in the next-generation photodetectors and solar cells. The understanding of charge-transfer process between adjacent atomic layers is the key to design optimal devices as it directly determines the fundamental response speed and photon-electron conversion efficiency. However, general belief and theoretical studies have shown that the charge transfer behavior depends sensitively on interlayer configurations, which is difficult to control accurately, bringing great uncertainties in device designing. Here we investigate the ultrafast dynamics of interlayer charge transfer in a prototype heterostructure, the MoS 2 /WS 2 bilayer with various stacking configurations, by optical two-color ultrafast pump-probe spectroscopy. Surprisingly, we found that the charge transfer is robust against varying interlayer twist angles and interlayer coupling strength, in time scale of ∼90 fs. Our observation, together with atomic-resolved transmission electron characterization and time-dependent density functional theory simulations, reveals that the robust ultrafast charge transfer is attributed to the heterogeneous interlayer stretching/sliding, which provides additional channels for efficient charge transfer previously unknown. Our results elucidate the origin of transfer rate robustness against interlayer stacking configurations in optical devices based on 2D heterostructures, facilitating their applications in ultrafast and high-efficient optoelectronic and photovoltaic devices in the near future.

Reduced Charge Transfer Exciton Recombination in Organic Semiconductor Heterojunctions by Molecular Doping

Science.gov (United States)

Deschler, Felix; da Como, Enrico; Limmer, Thomas; Tautz, Raphael; Godde, Tillmann; Bayer, Manfred; von Hauff, Elizabeth; Yilmaz, Seyfullah; Allard, Sybille; Scherf, Ullrich; Feldmann, Jochen

2011-09-01

We investigate the effect of molecular doping on the recombination of electrons and holes localized at conjugated-polymer-fullerene interfaces. We demonstrate that a low concentration of p-type dopant molecules (<4% weight) reduces the interfacial recombination via charge transfer excitons and results in a favored formation of separated carriers. This is observed by the ultrafast quenching of photoluminescence from charge transfer excitons and the increase in photoinduced polaron density by ˜70%. The results are consistent with a reduced formation of emissive charge transfer excitons, induced by state filling of tail states.

Line radiative transfer and statistical equilibrium*

Directory of Open Access Journals (Sweden)

Kamp Inga

2015-01-01

Full Text Available Atomic and molecular line emission from protoplanetary disks contains key information of their detailed physical and chemical structures. To unravel those structures, we need to understand line radiative transfer in dusty media and the statistical equilibrium, especially of molecules. I describe here the basic principles of statistical equilibrium and illustrate them through the two-level atom. In a second part, the fundamentals of line radiative transfer are introduced along with the various broadening mechanisms. I explain general solution methods with their drawbacks and also specific difficulties encountered in solving the line radiative transfer equation in disks (e.g. velocity gradients. I am closing with a few special cases of line emission from disks: Radiative pumping, masers and resonance scattering.

Radiative transfer in atmosphere-sea ice-ocean system

Energy Technology Data Exchange (ETDEWEB)

Jin, Z.; Stamnes, K.; Weeks, W.F. [Univ. of Alaska, Fairbanks, AK (United States); Tsay, S.C. [NASA Goddard Space Flight Center, Greenbelt, MD (United States)

1996-04-01

Radiative energy is critical in controlling the heat and mass balance of sea ice, which significantly affects the polar climate. In the polar oceans, light transmission through the atmosphere and sea ice is essential to the growth of plankton and algae and, consequently, to the microbial community both in the ice and in the ocean. Therefore, the study of radiative transfer in the polar atmosphere, sea ice, and ocean system is of particular importance. Lacking a properly coupled radiative transfer model for the atmosphere-sea ice-ocean system, a consistent study of the radiative transfer in the polar atmosphere, snow, sea ice, and ocean system has not been undertaken before. The radiative transfer processes in the atmosphere and in the ice and ocean have been treated separately. Because the radiation processes in the atmosphere, sea ice, and ocean depend on each other, this separate treatment is inconsistent. To study the radiative interaction between the atmosphere, clouds, snow, sea ice, and ocean, a radiative transfer model with consistent treatment of radiation in the coupled system is needed and is under development.

Charge transfers in complex transition metal alloys (Ti2Fe)

International Nuclear Information System (INIS)

Abramovici, G.

1998-01-01

We introduce a new non-orthogonal tight-binding model, for complex alloys, in which electronic structure is characterized by charge transfers. We give the analytic calculation of a charge transfer, in which overlapping two-center terms are rigorously taken into account. Then, we apply numerically this result to an approximant phase of a quasicrystal of Ti 2 Fe alloy. This model is more particularly adapted to transition metals, and gives realistic densities of states. (orig.)

Response of GaAs charge storage devices to transient ionizing radiation

Science.gov (United States)

Hetherington, D. L.; Klem, J. F.; Hughes, R. C.; Weaver, H. T.

Charge storage devices in which non-equilibrium depletion regions represent stored charge are sensitive to ionizing radiation. This results since the radiation generates electron-hole pairs that neutralize excess ionized dopant charge. Silicon structures, such as dynamic RAM or CCD cells are particularly sensitive to radiation since carrier diffusion lengths in this material are often much longer than the depletion width, allowing collection of significant quantities of charge from quasi-neutral sections of the device. For GaAs the situation is somewhat different in that minority carrier diffusion lengths are shorter than in silicon, and although mobilities are higher, we expect a reduction of radiation sensitivity as suggested by observations of reduced quantum efficiency in GaAs solar cells. Dynamic memory cells in GaAs have potential increased retention times. In this paper, we report the response of a novel GaAs dynamic memory element to transient ionizing radiation. The charge readout technique is nondestructive over a reasonable applied voltage range and is more sensitive to stored charge than a simple capacitor.

Ultrafast endothermic transfer of non-radiative exciplex state to radiative excitons in polyfluorene random copolymer for blue electroluminescence

Science.gov (United States)

Moghe, Dhanashree A.; Dey, Amrita; Johnson, Kerr; Lu, L.-P.; Friend, Richard H.; Kabra, Dinesh

2018-04-01

We report a blue-emitting random copolymer (termed modified Aryl-F8) consisting of three repeat units of polydioctylfluorene (F8), Aryl-polydioctylfluorene (Aryl-F8), and an aromatic amine comonomer unit, poly(bis-N,Ν'-(4-butylphenyl)-bis-N,N'-phenyl-1,4 phenylenediamine) chemically linked to get an improved charge carrier balance without compromising on the photoluminescence (PL) quantum yield with respect to the Aryl-F8 homo-polymer. The measured photoluminescence quantum efficiency (˜70%) of the blue-emitting polymer is comparable to or greater than the individual monomer units. The time resolved PL spectra from the modified Aryl-F8 are similar to those of Arylated-poly(9,9'-dioctylfluorene-co-bis-N,N'-(4-butylphenyl)-bis-N,N'-phenyl-1,4 phenylenediamine) (PFB) even at a time scale of 100-250 ps, indicating an ultrafast energy transfer from the (Aryl-F8 or F8):Arylated-PFB interface to Arylated-PFB, i.e., endothermic transfer of non-radiative exciplex to a radiative molecular exciton. Furthermore, the presence of non-radiative exciplex is confirmed by the photoluminescence decay profile and temperature dependent PL spectra. The luminance efficiency achieved for the modified Aryl-F8 polymer light-emitting diodes is ˜11 cd A-1 with an external quantum efficiency (EQE) of ˜4.5%, whereas it is 0.05 cd/A with an EQE of ˜0.025% for Aryl-F8. Almost two orders of higher efficiency is achieved due to the improved charge carrier balance from the random copolymer without compromising on the photoluminescence yield.

Polyoxometalate active charge-transfer material for mediated redox flow battery

Energy Technology Data Exchange (ETDEWEB)

Anderson, Travis Mark; Hudak, Nicholas; Staiger, Chad; Pratt, Harry

2017-01-17

Redox flow batteries including a half-cell electrode chamber coupled to a current collecting electrode are disclosed herein. In a general embodiment, a separator is coupled to the half-cell electrode chamber. The half-cell electrode chamber comprises a first redox-active mediator and a second redox-active mediator. The first redox-active mediator and the second redox-active mediator are circulated through the half-cell electrode chamber into an external container. The container includes an active charge-transfer material. The active charge-transfer material has a redox potential between a redox potential of the first redox-active mediator and a redox potential of the second redox-active mediator. The active charge-transfer material is a polyoxometalate or derivative thereof. The redox flow battery may be particularly useful in energy storage solutions for renewable energy sources and for providing sustained power to an electrical grid.

Charge transfer in chromium-transition metal alloys

International Nuclear Information System (INIS)

Kulakowski, K.; Maksymowicz, A.

1984-07-01

The average T-matrix approximation is applied for calculations of charge transfer of 3d-electrons in transition metal alloys. The role of concentration, long-range and short-range atomic order is investigated. The results are in reasonable agreement with experimental data. (author)

ARCHITECTURE OF A CHARGE-TRANSFER STATE REGULATING LIGHT HARVESTING IN A PLANT ANTENNA PROTEIN

Energy Technology Data Exchange (ETDEWEB)

Fleming, Graham; Ahn, Tae Kyu; Avenson, Thomas J.; Ballottari, Matteo; Cheng, Yuan-Chung; Niyogi, Krishna K.; Bassi, Roberto; Fleming, Graham R.

2008-04-02

Energy-dependent quenching of excess absorbed light energy (qE) is a vital mechanism for regulating photosynthetic light harvesting in higher plants. All of the physiological characteristics of qE have been positively correlated with charge-transfer between coupled chlorophyll and zeaxanthin molecules in the light-harvesting antenna of photosystem II (PSII). In this work, we present evidence for charge-transfer quenching in all three of the individual minor antenna complexes of PSII (CP29, CP26, and CP24), and we conclude that charge-transfer quenching in CP29 involves a de-localized state of an excitonically coupled chlorophyll dimer. We propose that reversible conformational changes in CP29 can `tune? the electronic coupling between the chlorophylls in this dimer, thereby modulating the energy of the chlorophylls-zeaxanthin charge-transfer state and switching on and off the charge-transfer quenching during qE.

Proton-coupled electron transfer versus hydrogen atom transfer: generation of charge-localized diabatic states.

Science.gov (United States)

Sirjoosingh, Andrew; Hammes-Schiffer, Sharon

2011-03-24

The distinction between proton-coupled electron transfer (PCET) and hydrogen atom transfer (HAT) mechanisms is important for the characterization of many chemical and biological processes. PCET and HAT mechanisms can be differentiated in terms of electronically nonadiabatic and adiabatic proton transfer, respectively. In this paper, quantitative diagnostics to evaluate the degree of electron-proton nonadiabaticity are presented. Moreover, the connection between the degree of electron-proton nonadiabaticity and the physical characteristics distinguishing PCET from HAT, namely, the extent of electronic charge redistribution, is clarified. In addition, a rigorous diabatization scheme for transforming the adiabatic electronic states into charge-localized diabatic states for PCET reactions is presented. These diabatic states are constructed to ensure that the first-order nonadiabatic couplings with respect to the one-dimensional transferring hydrogen coordinate vanish exactly. Application of these approaches to the phenoxyl-phenol and benzyl-toluene systems characterizes the former as PCET and the latter as HAT. The diabatic states generated for the phenoxyl-phenol system possess physically meaningful, localized electronic charge distributions that are relatively invariant along the hydrogen coordinate. These diabatic electronic states can be combined with the associated proton vibrational states to generate the reactant and product electron-proton vibronic states that form the basis of nonadiabatic PCET theories. Furthermore, these vibronic states and the corresponding vibronic couplings may be used to calculate rate constants and kinetic isotope effects of PCET reactions.

Using metal complex-labeled peptides for charge transfer-based biosensing with semiconductor quantum dots

Science.gov (United States)

Medintz, Igor L.; Pons, Thomas; Trammell, Scott A.; Blanco-Canosa, Juan B.; Dawson, Philip E.; Mattoussi, Hedi

2009-02-01

Luminescent colloidal semiconductor quantum dots (QDs) have unique optical and photonic properties and are highly sensitive to charge transfer in their surrounding environment. In this study we used synthetic peptides as physical bridges between CdSe-ZnS core-shell QDs and some of the most common redox-active metal complexes to understand the charge transfer interactions between the metal complexes and QDs. We found that QD emission underwent quenching that was highly dependent on the choice of metal complex used. We also found that quenching traces the valence or number of metal complexes brought into close proximity of the nanocrystal surface. Monitoring of the QD absorption bleaching in the presence of the metal complex provided insight into the charge transfer mechanism. The data suggest that two distinct charge transfer mechanisms can take place. One directly to the QD core states for neutral capping ligands and a second to surface states for negatively charged capping ligands. A basic understanding of the proximity driven charge-transfer and quenching interactions allowed us to construct proteolytic enzyme sensing assemblies with the QD-peptide-metal complex conjugates.

Active pixel sensor with intra-pixel charge transfer

Science.gov (United States)

Fossum, Eric R. (Inventor); Mendis, Sunetra (Inventor); Kemeny, Sabrina E. (Inventor)

2004-01-01

An imaging device formed as a monolithic complementary metal oxide semiconductor integrated circuit in an industry standard complementary metal oxide semiconductor process, the integrated circuit including a focal plane array of pixel cells, each one of the cells including a photogate overlying the substrate for accumulating photo-generated charge in an underlying portion of the substrate, a readout circuit including at least an output field effect transistor formed in the substrate, and a charge coupled device section formed on the substrate adjacent the photogate having a sensing node connected to the output transistor and at least one charge coupled device stage for transferring charge from the underlying portion of the substrate to the sensing node.

Electroluminescence from charge transfer states in Donor/Acceptor solar cells

DEFF Research Database (Denmark)

Sherafatipour, Golenaz; Madsen, Morten

Charge photocurrent generation is a key process in solar energy conversion systems. Effective dissociation of the photo-generated electron-hole pairs (excitons) has a strong influence on the efficiency of the organic solar cells. Charge dissociation takes place at the donor/acceptor interface via...... which the maximum open-circuit voltage can be estimated, and further can be used in the modeling and optimization of the OPV devices. [1] C. Deibe, T. Strobe, and V. Dyakonov, “Role of the charge transfer state in organic donor-acceptor solar cells,” Adv. Mater., vol. 22, pp. 4097–4111, 2010. [2] K...... charge transfer (CT) excitons, which is Coulombically bound interfacial electron- hole pairs residing at the donor/acceptor heterojunctions. The CT state represents an intermediate state between the exciton dissociation and recombination back to the ground state. Since the recombination of photo...

Radiative heat transfer in the extreme near field.

Science.gov (United States)

Kim, Kyeongtae; Song, Bai; Fernández-Hurtado, Víctor; Lee, Woochul; Jeong, Wonho; Cui, Longji; Thompson, Dakotah; Feist, Johannes; Reid, M T Homer; García-Vidal, Francisco J; Cuevas, Juan Carlos; Meyhofer, Edgar; Reddy, Pramod

2015-12-17

Radiative transfer of energy at the nanometre length scale is of great importance to a variety of technologies including heat-assisted magnetic recording, near-field thermophotovoltaics and lithography. Although experimental advances have enabled elucidation of near-field radiative heat transfer in gaps as small as 20-30 nanometres (refs 4-6), quantitative analysis in the extreme near field (less than 10 nanometres) has been greatly limited by experimental challenges. Moreover, the results of pioneering measurements differed from theoretical predictions by orders of magnitude. Here we use custom-fabricated scanning probes with embedded thermocouples, in conjunction with new microdevices capable of periodic temperature modulation, to measure radiative heat transfer down to gaps as small as two nanometres. For our experiments we deposited suitably chosen metal or dielectric layers on the scanning probes and microdevices, enabling direct study of extreme near-field radiation between silica-silica, silicon nitride-silicon nitride and gold-gold surfaces to reveal marked, gap-size-dependent enhancements of radiative heat transfer. Furthermore, our state-of-the-art calculations of radiative heat transfer, performed within the theoretical framework of fluctuational electrodynamics, are in excellent agreement with our experimental results, providing unambiguous evidence that confirms the validity of this theory for modelling radiative heat transfer in gaps as small as a few nanometres. This work lays the foundations required for the rational design of novel technologies that leverage nanoscale radiative heat transfer.

Radiation from Accelerating Electric Charges: The Third Derivative of Position

Science.gov (United States)

Butterworth, Edward

2010-03-01

While some textbooks appear to suggest that acceleration of an electric charge is both a necessary and sufficient cause for the generation of electromagnetic radiation, the question has in fact had an intricate and involved history. In particular, the acceleration of a charge in hyperbolic motion, the behavior of a charge supported against a gravitational force (and its implications for the Equivalence Principle), and a charge accelerated by a workless constraint have been the subject of repeated investigation. The present paper examines specifically the manner in which the third derivative of position enters into the equations of motion, and the implications this has for the emission of radiation. Plass opens his review article with the statement that ``A fundamental property of all charged particles is that electromagnetic energy is radiated whenever they are accelerated'' (Plass 1961; emphasis mine). His treatment of the equations of motion, however, emphasizes the importance of the occurrence of the third derivative of position therein, present in linear motion only when the rate of acceleration is increasing or decreasing. There appears to be general agreement that the presence of a nonzero third derivative indicates that this charge is radiating; but does its absence preclude radiation? This question leads back to the issues of charges accelerated by a uniform gravitational field. We will examine the equations of motion as presented in Fulton & Rohrlich (1960), Plass (1961), Barut (1964), Teitelboim (1970) and Mo & Papas (1971) in the light of more recent literature in an attempt to clarify this question.

Doping Phosphorene with Holes and Electrons through Molecular Charge Transfer.

Science.gov (United States)

Vishnoi, Pratap; Rajesh, S; Manjunatha, S; Bandyopadhyay, Arkamita; Barua, Manaswee; Pati, Swapan K; Rao, C N R

2017-11-03

An important aspect of phosphorene, the novel two-dimensional semiconductor, is whether holes and electrons can both be doped in this material. Some reports found that only electrons can be preferentially doped into phosphorene. There are some theoretical calculations showing charge-transfer interaction with both tetrathiafulvalene (TTF) and tetracyanoethylene (TCNE). We have carried out an investigation of chemical doping of phosphorene by a variety of electron donor and acceptor molecules, employing both experiment and theory, Raman scattering being a crucial aspect of the study. We find that both electron acceptors and donors interact with phosphorene by charge-transfer, with the acceptors having more marked effects. All the three Raman bands of phosphorene soften and exhibit band broadening on interaction with both donor and acceptor molecules. First-principles calculations establish the occurrence of charge-transfer between phosphorene with donors as well as acceptors. The absence of electron-hole asymmetry is noteworthy. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Temperature-dependent kinetics of charge transfer, hydrogen-atom transfer, and hydrogen-atom expulsion in the reaction of CO+ with CH4 and CD4.

Science.gov (United States)

Melko, Joshua J; Ard, Shaun G; Johnson, Ryan S; Shuman, Nicholas S; Guo, Hua; Viggiano, Albert A

2014-09-18

We have determined the rate constants and branching ratios for the reactions of CO(+) with CH4 and CD4 in a variable-temperature selected ion flow tube. We find that the rate constants are collisional for all temperatures measured (193-700 K for CH4 and 193-500 K for CD4). For the CH4 reaction, three product channels are identified, which include charge transfer (CH4(+) + CO), H-atom transfer (HCO(+) + CH3), and H-atom expulsion (CH3CO(+) + H). H-atom transfer is slightly preferred to charge transfer at low temperature, with the charge-transfer product increasing in contribution as the temperature is increased (H-atom expulsion is a minor product for all temperatures). Analogous products are identified for the CD4 reaction. Density functional calculations on the CO(+) + CH4 reaction were also conducted, revealing that the relative temperature dependences of the charge-transfer and H-atom transfer pathways are consistent with an initial charge transfer followed by proton transfer.

Submandibular salivary gland transfer prevents radiation-induced xerostomia

International Nuclear Information System (INIS)

Jha, Naresh; Seikaly, Hadi; McGaw, Timothy; Coulter, Linda

2000-01-01

Background: Xerostomia is a significant morbidity of radiation therapy in the management of head and neck cancers. We hypothesized that the surgical transfer of one submandibular salivary gland to submental space, outside the proposed radiation field, prior to starting radiation treatment, would prevent xerostomia. Methods: We are conducting a prospective clinical trial where the submandibular gland is transferred as part of the surgical intervention. The patients are followed clinically, with salivary flow studies and University of Washington quality of life questionnaire. Results: We report early results of 16 patients who have undergone this procedure. Seven patients have finished and 2 patients are currently undergoing radiation treatment. In 2 patients, no postoperative radiation treatment was indicated. Two patients are waiting to start radiation treatment and 2 patients refused treatment after surgery. The surgical transfer was abandoned in 1 patient. All of the transferred salivary glands were positioned outside the proposed radiation fields and were functional. The patients did not complain of any xerostomia and developed only minimal oral mucositis. There were no surgical complications. Conclusions: Surgical transfer of a submandibular salivary gland to the submental space (outside the radiation field) preserves its function and prevents the development of radiation-induced xerostomia

Charge-transfer properties in the gas electron multiplier

International Nuclear Information System (INIS)

Han, Sanghyo; Kim, Yongkyun; Cho, Hyosung

2004-01-01

The charge transfer properties of a gas electron multiplier (GEM) were systematically investigated over a broad range of electric field configurations. The electron collection efficiency and the charge sharing were found to depend on the external fields, as well as on the GEM voltage. The electron collection efficiency increased with the collection field up to 90%, but was essentially independent of the drift field strength. A double conical GEM has a 10% gain increase with time due to surface charging by avalanche ions whereas this effect was eliminated with the cylindrical GEM. The positive-ion feedback is also estimated. (author)

Process techniques of charge transfer time reduction for high speed CMOS image sensors

International Nuclear Information System (INIS)

Cao Zhongxiang; Li Quanliang; Han Ye; Qin Qi; Feng Peng; Liu Liyuan; Wu Nanjian

2014-01-01

This paper proposes pixel process techniques to reduce the charge transfer time in high speed CMOS image sensors. These techniques increase the lateral conductivity of the photo-generated carriers in a pinned photodiode (PPD) and the voltage difference between the PPD and the floating diffusion (FD) node by controlling and optimizing the N doping concentration in the PPD and the threshold voltage of the reset transistor, respectively. The techniques shorten the charge transfer time from the PPD diode to the FD node effectively. The proposed process techniques do not need extra masks and do not cause harm to the fill factor. A sub array of 32 × 64 pixels was designed and implemented in the 0.18 μm CIS process with five implantation conditions splitting the N region in the PPD. The simulation and measured results demonstrate that the charge transfer time can be decreased by using the proposed techniques. Comparing the charge transfer time of the pixel with the different implantation conditions of the N region, the charge transfer time of 0.32 μs is achieved and 31% of image lag was reduced by using the proposed process techniques. (semiconductor devices)

Bane of Hydrogen-Bond Formation on the Photoinduced Charge-Transfer Process in Donor–Acceptor Systems

KAUST Repository

Alsam, Amani Abdu

2017-03-14

Controlling the ultrafast dynamical process of photoinduced charge transfer at donor acceptor interfaces remains a major challenge for physical chemistry and solar cell communities. The process is complicated by the involvement of other complex dynamical processes, including hydrogen bond formation, energy transfer, and solvation dynamics occurring on similar time scales. In this study, we explore the remarkable impact of hydrogen-bond formation on the interfacial charge transfer between a negatively charged electron donating anionic porphyrin and a positively charged electron accepting pi-conjugated polymer, as a model system in solvents with different polarities and capabilities for hydiogen bonding using femtosecond transient absorption spectroscopy. Unlike the conventional understanding of the key role of hydrogen bonding in promoting the charge-transfer process, our steadystate and time-resolved results reveal that the intervening hydrogen-bonding environment and, consequently, the probable longer spacing between the donor and acceptor molecules significantly hinders the charge-transfer process between them. These results show that site-specific hydrogen bonding and geometric considerations between donor and acceptor can be exploited to control both the charge-transfer dynamics and its efficiency not only at donor acceptor interfaces but also in complex biological systems.

Super-Planckian far-field radiative heat transfer

Science.gov (United States)

Fernández-Hurtado, V.; Fernández-Domínguez, A. I.; Feist, J.; García-Vidal, F. J.; Cuevas, J. C.

2018-01-01

We present here a theoretical analysis that demonstrates that the far-field radiative heat transfer between objects with dimensions smaller than the thermal wavelength can overcome the Planckian limit by orders of magnitude. To guide the search for super-Planckian far-field radiative heat transfer, we make use of the theory of fluctuational electrodynamics and derive a relation between the far-field radiative heat transfer and the directional absorption efficiency of the objects involved. Guided by this relation, and making use of state-of-the-art numerical simulations, we show that the far-field radiative heat transfer between highly anisotropic objects can largely overcome the black-body limit when some of their dimensions are smaller than the thermal wavelength. In particular, we illustrate this phenomenon in the case of suspended pads made of polar dielectrics like SiN or SiO2. These structures are widely used to measure the thermal transport through nanowires and low-dimensional systems and can be employed to test our predictions. Our work illustrates the dramatic failure of the classical theory to predict the far-field radiative heat transfer between micro- and nanodevices.

Theory and simulation of charge transfer through DNA - nanotube contacts

International Nuclear Information System (INIS)

Rink, Gunda; Kong Yong; Koslowski, Thorsten

2006-01-01

We address the problem of charge transfer between a single-stranded adenine oligomer and semiconducting boron nitride nanotubes from a theoretical and numerical perspective. The model structures have been motivated by computer simulations; sample geometries are used as the input of an electronic structure theory that is based upon an extended Su-Schrieffer-Heeger Hamiltonian. By analyzing the emerging potential energy surfaces, we obtain hole transfer rates via Marcus' theory of charge transfer. In the presence of nanotubes, these rates exceed those of isolated DNA single strands by a factor of up to 10 4 . This enhancement can be rationalized and quantified as a combination of a template effect and the participation of the tube within a superexchange mechanism

Positron Annihilation in Solid Charge-Transfer Complexes

DEFF Research Database (Denmark)

Lévay, B.; Jansen, P.

1979-01-01

Positron lifetime and angular correlation measurements have been carried out on 1:1 charge-transfer complexes, on their pure donor and acceptor components and on the 1:1 M mechanical mixtures of these components. Complex formation reduced the intensity of the long-lifetime component of the donor...

Influence of radiation heat transfer during a severe accident

Energy Technology Data Exchange (ETDEWEB)

Cazares R, R. I.; Epinosa P, G.; Varela H, J. R.; Vazquez R, A. [Universidad Autonoma Metropolitana, Unidad Iztapalapa, San Rafael Atlixco No. 186, Col. Vicentina, 09340 Ciudad de Mexico (Mexico); Polo L, M. A., E-mail: ricardo-cazares@hotmail.com [Comision Nacional de Seguridad Nuclear y Salvaguardias, Dr. Barragan No. 779, Col. Narvarte, 03020 Ciudad de Mexico (Mexico)

2016-09-15

The aim of this work is to determine the influence of the radiation heat transfer on an average fuel channel during a severe accident of a BWR nuclear power plant. The analysis considers the radiation heat transfer in a participating medium, where the gases inside the system participate in the radiation heat transfer. We consider the steam-water mixture as an isothermal gray gas, and the boundaries of the system as a gray diffuse isothermal surface for the clad and refractory surfaces for the rest, and consider the average fuel channel as an enclosure system. During a severe accident, generation and diffusion of hydrogen begin at high temperature range (1,273 to 2,100 K), and the fuel rod cladding oxidation, but the hydrogen generated do not participate in the radiation heat transfer because it does not have any radiation properties. The heat transfer process in the fuel assembly is considered with a reduced order model, and from this, the convection and the radiation heat transfer is introduced in the system. In this paper, a system with and without the radiation heat transfer term was calculated and analyzed in order to obtain the influence of the radiation heat transfer on the average fuel channel. We show the behavior of radiation heat transfer effects on the temporal evolution of the hydrogen concentration and temperature profiles in a fuel assembly, where a stream of steam is flowing. Finally, this study is a practical complement for more accurate modeling of a severe accident analysis. (Author)

Influence of radiation heat transfer during a severe accident

International Nuclear Information System (INIS)

Cazares R, R. I.; Epinosa P, G.; Varela H, J. R.; Vazquez R, A.; Polo L, M. A.

2016-09-01

The aim of this work is to determine the influence of the radiation heat transfer on an average fuel channel during a severe accident of a BWR nuclear power plant. The analysis considers the radiation heat transfer in a participating medium, where the gases inside the system participate in the radiation heat transfer. We consider the steam-water mixture as an isothermal gray gas, and the boundaries of the system as a gray diffuse isothermal surface for the clad and refractory surfaces for the rest, and consider the average fuel channel as an enclosure system. During a severe accident, generation and diffusion of hydrogen begin at high temperature range (1,273 to 2,100 K), and the fuel rod cladding oxidation, but the hydrogen generated do not participate in the radiation heat transfer because it does not have any radiation properties. The heat transfer process in the fuel assembly is considered with a reduced order model, and from this, the convection and the radiation heat transfer is introduced in the system. In this paper, a system with and without the radiation heat transfer term was calculated and analyzed in order to obtain the influence of the radiation heat transfer on the average fuel channel. We show the behavior of radiation heat transfer effects on the temporal evolution of the hydrogen concentration and temperature profiles in a fuel assembly, where a stream of steam is flowing. Finally, this study is a practical complement for more accurate modeling of a severe accident analysis. (Author)

Interplanetary Radiation and Internal Charging Environment Models for Solar Sails

Science.gov (United States)

Minow, Joseph I.; Altstatt, Richard L.; NeegaardParker, Linda

2005-01-01

A Solar Sail Radiation Environment (SSRE) model has been developed for defining charged particle environments over an energy range from 0.01 keV to 1 MeV for hydrogen ions, helium ions, and electrons. The SSRE model provides the free field charged particle environment required for characterizing energy deposition per unit mass, charge deposition, and dose rate dependent conductivity processes required to evaluate radiation dose and internal (bulk) charging processes in the solar sail membrane in interplanetary space. Solar wind and energetic particle measurements from instruments aboard the Ulysses spacecraft in a solar, near-polar orbit provide the particle data over a range of heliospheric latitudes used to derive the environment that can be used for radiation and charging environments for both high inclination 0.5 AU Solar Polar Imager mission and the 1.0 AU L1 solar missions. This paper describes the techniques used to model comprehensive electron, proton, and helium spectra over the range of particle energies of significance to energy and charge deposition in thin (less than 25 micrometers) solar sail materials.

Effects of acid concentration on intramolecular charge transfer ...

Indian Academy of Sciences (India)

rate. Time-dependent density functional theory calculations have been performed to understand the observed spectroscopic results. Keywords. Intramolecular charge transfer; absorption and fluorescence; time resolved fluorescence measurements; acid concentration dependence; time-dependent density functional theory.

Energy and charge transfer cascade in methylammonium lead bromide perovskite nanoparticle aggregates.

Science.gov (United States)

Bouduban, Marine E F; Burgos-Caminal, Andrés; Ossola, Rachele; Teuscher, Joël; Moser, Jacques-E

2017-06-01

Highly photoluminescent hybrid lead halide perovskite nanoparticles have recently attracted wide interest in the context of high-stake applications, such as light emitting diodes (LEDs), light emitting transistors and lasers. In addition, they constitute ideal model systems to explore energy and charge transport phenomena occurring at the boundaries of nanocrystalline grains forming thin films in high-efficiency perovskite solar cells (PSCs). Here we report a complete photophysical study of CH 3 NH 3 PbBr 3 perovskite nanoparticles suspended in chlorobenzene and highlight some important interaction properties. Colloidal suspensions under study were constituted of dispersed aggregates of quasi-2D platelets of a range of thicknesses, decorated with 3D-like spherical nanoparticles. These types of nanostructures possess different optical properties that afford a handle for probing them individually. The photophysics of the colloidal particles was studied by femtosecond pump-probe spectroscopy and time-correlated single-photon counting. We show here that a cascade of energy and exciton-mediated charge transfer occurs between nanostructures: upon photoexcitation, localized excitons within one nanostructure can either recombine on a ps timescale, yielding a short-lived emission, or form charge-transfer states (CTSs) across adjacent domains, resulting in longer-lived photoluminescence in the millisecond timescale. Furthermore, CTSs exhibit a clear signature in the form of a strong photoinduced electroabsorption evidenced in femtosecond transient absorption measurements. Charge transfer dynamics at the surface of the nanoparticles have been studied with various quenchers in solution. Efficient hole transfer to N , N , N ', N '-tetrakis(4-methoxyphenyl)benzidine (MeO-TPD) and 1,4-bis(diphenyl-amino)benzene (BDB) donors was attested by the quenching of the nanoparticles emission. The charge transfer rate was limited by the organic layer used to stabilize the nanoparticles

Polarization transfer in x-ray transitions due to photoionization in highly charged copper-like ions

Science.gov (United States)

Ma, Kun; Chen, Zhan-Bin; Xie, Lu-You; Dong, Chen-Zhong

2018-02-01

Using the density matrix theory and the multi-configuration Dirac-Fock method, the 3{d}3/2 subshell photoionization of highly charged ions is studied, together with their subsequent radiative decay. The effects of polarization transfer on the linear polarization and angular distribution of the 3{d}94{s}2{}2{D}3/2\\to 3{d}104p{}2{P}1/2 characteristic line photoemission for selected Cu-like Zn+, Ba27+, {{{W}}}45+, and {{{U}}}63+ ions are investigated. Our results show that the polarization transfer, arising from the originally polarized incident light, may lead to a considerable change in the alignment parameters and the polarization properties of the radiation, the character of which is highly sensitive to the initial photon polarization, yet virtually independent of the photon energy. These characteristics are very similar to those of the electron bremsstrahlung process reported by Märtin et al (2012 Phys. Rev. Lett. 108 264801). The present results are compared with available experimental results and show a good quantitative agreement.

High-energy behavior of the charge-transfer cross section in the eikonal approximation

International Nuclear Information System (INIS)

Dewangan, D.P.

1982-01-01

In the now popular version of the eikonal theory of charge transfer, the eikonal wave function does not satisfy the proper boundary conditions and the charge-transfer amplitude is uncertain by an undefined phase factor. The inclusion of the internuclear potential in a consistent way, in the eikonal theory overcomes theses difficulties. However, it also changes the high-energy asymptotic form of proton-hydrogen charge-transfer cross section from sigma/sub eik/ approx.(23/48) sigma/sub BK/ by a small amount to sigma/sub G/approx.(20.109/48)sigma/sub BK/ where sigma/sub BK/ is the Brinkman-Kramers cross section

Photoinduced charge and energy transfer in dye-doped conjugated polymers

International Nuclear Information System (INIS)

Veldman, Dirk; Bastiaansen, Jolanda J.A.M.; Langeveld-Voss, Bea M.W.; Sweelssen, Joergen; Koetse, Marc M.; Meskers, Stefan C.J.; Janssen, Rene A.J.

2006-01-01

Conjugated polymer-molecular dye blends of MDMO-PPV (poly[2-methoxy-5-(3',7'-dimethyloctyloxy)-1,4-phenylenevinylene]) and PF1CVTP (poly[9,9-dioctylfluorene-2,7-diyl-alt-2,5-bis(2-thienyl-1-cyanovinyl) -1-(3',7= '-dimethyloctyloxy)-4-methoxybenzene-5'',5''-diyl]) with three dipyrrometheneboron difluoride (bodipy) dyes were studied by (time-resolved) fluorescence and photoinduced absorption spectroscopy to determine quantitatively the relation between the electronic HOMO and LUMO levels and the occurrence of energy or charge transfer after optical excitation. We find that for MDMO-PPV photoinduced charge transfer to the dyes occurs, while photoexcitation of PF1CVTP exclusively results in energy transfer. The differences can be rationalized by assuming that the energy of the charge separated state is 0.33-0.45 eV higher than the energy determined from oxidation and reduction potentials of donor and acceptor, respectively. This provides an important design rule to identify appropriate materials for polymer solar cells that can have a high open-circuit voltage

Surface Charge Transfer Doping of Monolayer Phosphorene via Molecular Adsorption.

Science.gov (United States)

He, Yuanyuan; Xia, Feifei; Shao, Zhibin; Zhao, Jianwei; Jie, Jiansheng

2015-12-03

Monolayer phosphorene has attracted much attention owing to its extraordinary electronic, optical, and structural properties. Rationally tuning the electrical transport characteristics of monolayer phosphorene is essential to its applications in electronic and optoelectronic devices. Herein, we study the electronic transport behaviors of monolayer phosphorene with surface charge transfer doping of electrophilic molecules, including 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (F4TCNQ), NO2, and MoO3, using density functional theory combined with the nonequilibrium Green's function formalism. F4TCNQ shows optimal performance in enhancing the p-type conductance of monolayer phosphorene. Static electronic properties indicate that the enhancement is originated from the charge transfer between adsorbed molecule and phosphorene layer. Dynamic transport behaviors demonstrate that additional channels for hole transport in host monolayer phosphorene were generated upon the adsorption of molecule. Our work unveils the great potential of surface charge transfer doping in tuning the electronic properties of monolayer phosphorene and is of significance to its application in high-performance devices.

An abnormally slow proton transfer reaction in a simple HBO derivative due to ultrafast intramolecular-charge transfer events.

Science.gov (United States)

Alarcos, Noemí; Gutierrez, Mario; Liras, Marta; Sánchez, Félix; Douhal, Abderrazzak

2015-07-07

We report on the steady-state, picosecond and femtosecond time-resolved studies of a charge and proton transfer dye 6-amino-2-(2'-hydroxyphenyl)benzoxazole (6A-HBO) and its methylated derivative 6-amino-2-(2'-methoxyphenyl)benzoxazole (6A-MBO), in different solvents. With femtosecond resolution and comparison with the photobehaviour of 6A-MBO, we demonstrate for 6A-HBO in solution, the photoproduction of an intramolecular charge-transfer (ICT) process at S1 taking place in ∼140 fs or shorter, followed by solvent relaxation in the charge transferred species. The generated structure (syn-enol charge transfer conformer) experiences an excited-state intramolecular proton-transfer (ESIPT) reaction to produce a keto-type tautomer. This subsequent proton motion occurs in 1.2 ps (n-heptane), 14 ps (DCM) and 35 ps (MeOH). In MeOH, it is assisted by the solvent molecules and occurs through tunneling for which we got a large kinetic isotope effect (KIE) of about 13. For the 6A-DBO (deuterated sample in CD3OD) the global proton-transfer reaction takes place in 200 ps, showing a remarkable slow KIE regime. The slow ESIPT reaction in DCM (14 ps), not through tunnelling as it is not sensitive to OH/OD exchange, has however to overcome an energy barrier using intramolecular as well as solvent coordinates. The rich ESIPT dynamics of 6A-HBO in the used solutions is governed by an ICT reaction, triggered by the amino group, and it is solvent dependent. Thus, the charge injection to a 6A-HBO molecular frame makes the ICT species more stable, and the phenol group less acidic, slowing down the subsequent ESIPT reaction. Our findings bring new insights into the coupling between ICT and ESIPT reactions on the potential-energy surfaces of several barriers.

Photo-induced charge transfer at heterogeneous interfaces: Dye-sensitized tin disulfide, the theory and the experiment

International Nuclear Information System (INIS)

Lanzafame, J.M.

1993-01-01

The study of photo-induced charge transfer is an endeavor that spans the entire industrial period of man's history. Its great importance demands an ever greater understanding of its underlying principles. The work discussed here attempts to probe elementary aspects of the charge transfer process. Investigations into the theory of charge transfer reactions are made in an attempt to isolate the relevant parameters. An analytical discussion is made of a simple Golden Rule type rate equation to describe the transfer kinetics. Then a quantum simulation is carried out to follow the wavefunction propagation as a test of the applicability of the assumptions made in deriving the simpler rate equation. Investigation of charge transfer at surfaces is bet served by the application of ultrafast optical spectroscopies to probe carrier dynamics. A discussion of the properties of the short pulse laser systems employed is included along with a discussion of the different optical spectroscopies available. These tools are then brought to bear upon dye-sensitized SnS 2 , a model system for the study of charge injection processes. The unique properties of the semiconductor are discussed with respect to the charge transfer process. The unique properties of the semiconductor are discussed with respect to the charge transfer process. The optical experiments performed on the dye/SnS 2 systems elucidate the fundamental carrier dynamics and these dynamics are discussed within the theoretical framework to provide a complete picture of the charge transfer kinetics

Transient radiative transfer in a scattering slab considering polarization.

Science.gov (United States)

Yi, Hongliang; Ben, Xun; Tan, Heping

2013-11-04

The characteristics of the transient and polarization must be considered for a complete and correct description of short-pulse laser transfer in a scattering medium. A Monte Carlo (MC) method combined with a time shift and superposition principle is developed to simulate transient vector (polarized) radiative transfer in a scattering medium. The transient vector radiative transfer matrix (TVRTM) is defined to describe the transient polarization behavior of short-pulse laser propagating in the scattering medium. According to the definition of reflectivity, a new criterion of reflection at Fresnel surface is presented. In order to improve the computational efficiency and accuracy, a time shift and superposition principle is applied to the MC model for transient vector radiative transfer. The results for transient scalar radiative transfer and steady-state vector radiative transfer are compared with those in published literatures, respectively, and an excellent agreement between them is observed, which validates the correctness of the present model. Finally, transient radiative transfer is simulated considering the polarization effect of short-pulse laser in a scattering medium, and the distributions of Stokes vector in angular and temporal space are presented.

Super-iron Nanoparticles with Facile Cathodic Charge Transfer

Energy Technology Data Exchange (ETDEWEB)

M Farmand; D Jiang; B Wang; S Ghosh; D Ramaker; S Licht

2011-12-31

Super-irons contain the + 6 valence state of iron. One advantage of this is that it provides a multiple electron opportunity to store additional battery charge. A decrease of particle size from the micrometer to the nanometer domain provides a higher surface area to volume ratio, and opportunity to facilitate charge transfer, and improve the power, voltage and depth of discharge of cathodes made from such salts. However, super-iron salts are fragile, readily reduced to the ferric state, with both heat and contact with water, and little is known of the resultant passivating and non-passivating ferric oxide products. A pathway to decrease the super-iron particle size to the nano-domain is introduced, which overcomes this fragility, and retains the battery capacity advantage of their Fe(VI) valence state. Time and power controlled mechanosynthesis, through less aggressive, dry ball milling, leads to facile charge transfer of super-iron nanoparticles. Ex-situ X-ray Absorption Spectroscopy is used to explore the oxidation state and structure of these iron oxides during discharge and shows the significant change in stability of the ferrate structure to lower oxidation state when the particle size is in the nano-domain.

Charge transfer between O6+ and atomic hydrogen

Science.gov (United States)

Wu, Y.; Stancil, P. C.; Liebermann, H. P.; Buenker, R. J.; Schultz, D. R.; Hui, Y.

2011-05-01

The charge exchange process has been found to play a dominant role in the production of X-rays and/or EUV photons observed in cometary and planetary atmospheres and from the heliosphere. Charge transfer cross sections, especially state-selective cross sections, are necessary parameters in simulations of X-ray emission. In the present work, charge transfer due to collisions of ground state O6+(1s2 1 S) with atomic hydrogen has been investigated theoretically using the quantum-mechanical molecular-orbital close-coupling method (QMOCC). The multi-reference single- and double-excitation configuration interaction approach (MRDCI) has been applied to compute the adiabatic potential and nonadiabatic couplings, and the atomic basis sets used have been optimized with the method proposed previously to obtain precise potential data. Total and state-selective cross sections are calculated for energies between 10 meV/u and 10 keV/u. The QMOCC results are compared to available experimental and theoretical data as well as to new atomic-orbital close-coupling (AOCC) and classical trajectory Monte Carlo (CTMC) calculations. A recommended set of cross sections, based on the MOCC, AOCC, and CTMC calculations, is deduced which should aid in X-ray modeling studies.

Integer Charge Transfer and Hybridization at an Organic Semiconductor/Conductive Oxide Interface

KAUST Repository

Gruenewald, Marco

2015-02-11

We investigate the prototypical hybrid interface formed between PTCDA and conductive n-doped ZnO films by means of complementary optical and electronic spectroscopic techniques. We demonstrate that shallow donors in the vicinity of the ZnO surface cause an integer charge transfer to PTCDA, which is clearly restricted to the first monolayer. By means of DFT calculations, we show that the experimental signatures of the anionic PTCDA species can be understood in terms of strong hybridization with localized states (the shallow donors) in the substrate and charge back-donation, resulting in an effectively integer charge transfer across the interface. Charge transfer is thus not merely a question of locating the Fermi level above the PTCDA electron-transport level but requires rather an atomistic understanding of the interfacial interactions. The study reveals that defect sites and dopants can have a significant influence on the specifics of interfacial coupling and thus on carrier injection or extraction.

Hawking radiation of five-dimensional charged black holes with scalar fields

Directory of Open Access Journals (Sweden)

Yan-Gang Miao

2017-09-01

Full Text Available We investigate the Hawking radiation cascade from the five-dimensional charged black hole with a scalar field coupled to higher-order Euler densities in a conformally invariant manner. We give the semi-analytic calculation of greybody factors for the Hawking radiation. Our analysis shows that the Hawking radiation cascade from this five-dimensional black hole is extremely sparse. The charge enhances the sparsity of the Hawking radiation, while the conformally coupled scalar field reduces this sparsity.

Charge Transfer Channels in Formation of Exciplex in Polymer Blends

Science.gov (United States)

Dou, Fei; Zhang, Xin-Ping

2011-09-01

The strong dependence of photoluminescence of charge transfer excited states or exciplex in a blend film of poly(9,9'-dioctylfluorene-co-benzothiadiazole) (F8BT) and poly(9,9'-dioctylfluorene-co-bis-N,N'-(4-butylphenyl)-bis-N,N'-phenyl-1,4- phenylenediamine) (PFB) on the excitation wavelengths and morphology is investigated. The experimental results reveal that electron transfer in the LUMOs from PFB to F8BT is more efficient than hole transfer in the HOMOs from PFB to F8BT for the formation of exciplex at the interfacial junctions between these two types of molecules in the blend film. Furthermore, energy transfer from the blue-emitting PFB to the green-emitting F8BT at the interfaces introduces an additional two-step channel and thus enhances the formation of an exciplex. This is important for understanding of charge generation and separation in organic bulk heterojunctions and for design of optoelectronic devices.

Charge Transfer Channels in Formation of Exciplex in Polymer Blends

International Nuclear Information System (INIS)

Dou Fei; Zhang Xin-Ping

2011-01-01

The strong dependence of photoluminescence of charge transfer excited states or exciplex in a blend film of poly(9,9'-dioctylfluorene-co-benzothiadiazole) (F8BT) and poly(9,9'-dioctylfluorene-co-bis-N,N'-(4-butylphenyl)-bis-N,N'-phenyl-1,4- phenylenediamine) (PFB) on the excitation wavelengths and morphology is investigated. The experimental results reveal that electron transfer in the LUMOs from PFB to F8BT is more efficient than hole transfer in the HOMOs from PFB to F8BT for the formation of exciplex at the interfacial junctions between these two types of molecules in the blend film. Furthermore, energy transfer from the blue-emitting PFB to the green-emitting F8BT at the interfaces introduces an additional two-step channel and thus enhances the formation of an exciplex. This is important for understanding of charge generation and separation in organic bulk heterojunctions and for design of optoelectronic devices. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

Charge transfer in gold--alkali-metal systems

International Nuclear Information System (INIS)

Watson, R.E.; Weinert, M.

1994-01-01

Based on conventional electronegativity arguments, gold--alkali-metal compounds are expected to be among the most ''ionic'' of metallic compounds. The concepts of ionicity and charge transfer are difficult to quantify. However, the changes in bonding in the 50/50 Au--alkali-metal systems between the elemental metals and the compounds are so severe that observations can readily be made concerning their character. The results, as obtained from self-consistent electronic-structure calculations, lead to the apparently odd observation that the electron density at the alkali-metal sites in the compound increases significantly and this involves high l componennts in the charge density. This increase, however, can be attributed to Au-like orbitals spatially overlapping the alkali-metal sites. In a chemical sense, it is reasonable to consider the alkali-metal transferring charge to these Au orbitals. While normally the difference in heats of formation between muffin-tin and full-potential calculations for transition-metal--transition-metal and transition-metal--main-group (e.g., Al) compounds having high site symmetry are small, for the gold--alkali-metal systems, the changes in bonding in the compounds cause differences of ∼0.5 eV/atom between the two classes of potential. Any serious estimate of the electronic structure in these systems must account for these aspherical bonding charges. The origin of the semiconducting behavior of the heavy-alkali-metal Au compounds is shown to arise from a combination of the Au-Au separations and the ionic character of the compounds; the light-alkali-metal Au compounds, with their smaller Au-Au separations, do not have a semiconducting gap. Core-level shifts and isomer shifts are also briefly discussed

Interfacial Charge Transfer States in Condensed Phase Systems

Science.gov (United States)

Vandewal, Koen

2016-05-01

Intermolecular charge transfer (CT) states at the interface between electron-donating (D) and electron-accepting (A) materials in organic thin films are characterized by absorption and emission bands within the optical gap of the interfacing materials. CT states efficiently generate charge carriers for some D-A combinations, and others show high fluorescence quantum efficiencies. These properties are exploited in organic solar cells, photodetectors, and light-emitting diodes. This review summarizes experimental and theoretical work on the electronic structure and interfacial energy landscape at condensed matter D-A interfaces. Recent findings on photogeneration and recombination of free charge carriers via CT states are discussed, and relations between CT state properties and optoelectronic device parameters are clarified.

Charge transfer through DNA/DNA duplexes and DNA/RNA hybrids: complex theoretical and experimental studies.

Science.gov (United States)

Kratochvílová, Irena; Vala, Martin; Weiter, Martin; Špérová, Miroslava; Schneider, Bohdan; Páv, Ondřej; Šebera, Jakub; Rosenberg, Ivan; Sychrovský, Vladimír

2013-01-01

Oligonucleotides conduct electric charge via various mechanisms and their characterization and understanding is a very important and complicated task. In this work, experimental (temperature dependent steady state fluorescence spectroscopy, time-resolved fluorescence spectroscopy) and theoretical (Density Functional Theory) approaches were combined to study charge transfer processes in short DNA/DNA and RNA/DNA duplexes with virtually equivalent sequences. The experimental results were consistent with the theoretical model - the delocalized nature of HOMO orbitals and holes, base stacking, electronic coupling and conformational flexibility formed the conditions for more effective short distance charge transfer processes in RNA/DNA hybrids. RNA/DNA and DNA/DNA charge transfer properties were strongly connected with temperature affected structural changes of molecular systems - charge transfer could be used as a probe of even tiny changes of molecular structures and settings. © 2013. Published by Elsevier B.V. All rights reserved.

Gamma radiation induced sensitization and photo-transfer in Mg2SiO4:Tb TLD phosphor

International Nuclear Information System (INIS)

Lakshmanan, A.R.; Vohra, K.G.

1979-01-01

Mg 2 SiO 4 :Tb TLD phosphor was found to show enhanced TL sensitivity to both gamma and UV radiations after high pre-gamma exposures (>100 R) and a post-annealing treatment at 300 0 C for 1 h. Maximum sensitization factors of 2.8 and 55 were obtained at the pre-expsoure levels of 5.2x10 1 C/kg and 1.3x10 3 C/kg for gamma and UV test radiations respectively. The near constancy of the intensity of the residual TL (RTL) peak at 500 0 C for the sensitized sample with increasing test-gamma exposures has ruled out the re-trapping model proposed earlier for the gamma radiation induced sensitization in this phosphor. The Tsub(max) for the sensitized phosphor was found to occur at a higher temperature compared to that for the virgin phosphor. The dependence of sensitization on RTL was explained qualitatively on the basis of competition between sensitization traps (having higher energy than the dosimetry traps) and RTL traps while capturing the charge carriers generated during the test-gamma exposure. The sensitization observed in this phosphor to UV test radiation was found to be a consequence of the photo-transfer of charge carriers from deep (RTL) traps to the shallow (dosimetry) traps. The reduction in RTL peak (500 0 C) intensity of the sensitized sample with increasing test-UV exposure has demonstrated the photo-transfer mechanism in this phosphor. The TL response of the virgin Mg 2 SiO 4 :Tb phosphor was found to be supralinear to both gamma and UV radiations. The TL response of the sensitized phosphor was found to be linear to gamma radiation and sublinear to UV radiation. (Auth.)

Charge transfer and excitation in high-energy ion-atom collisions

International Nuclear Information System (INIS)

Schlachter, A.S.; Berkner, K.H.; McDonald, R.J.

1986-11-01

Coincidence measurements of charge transfer and simultaneous projectile electron excitation provide insight into correlated two-electron processes in energetic ion-atom collisions. Projectile excitation and electron capture can occur simultaneously in a collision of a highly charged ion with a target atom; this process is called resonant transfer and excitation (RTE). The intermediate excited state which is thus formed can subsequently decay by photon emission or by Auger-electron emission. Results are shown for RTE in both the K shell of Ca ions and the L shell of Nb ions, for simultaneous projectile electron loss and excitation, and for the effect of RTE on electron capture

Discrete diffusion Lyman α radiative transfer

Science.gov (United States)

Smith, Aaron; Tsang, Benny T.-H.; Bromm, Volker; Milosavljević, Miloš

2018-06-01

Due to its accuracy and generality, Monte Carlo radiative transfer (MCRT) has emerged as the prevalent method for Lyα radiative transfer in arbitrary geometries. The standard MCRT encounters a significant efficiency barrier in the high optical depth, diffusion regime. Multiple acceleration schemes have been developed to improve the efficiency of MCRT but the noise from photon packet discretization remains a challenge. The discrete diffusion Monte Carlo (DDMC) scheme has been successfully applied in state-of-the-art radiation hydrodynamics (RHD) simulations. Still, the established framework is not optimal for resonant line transfer. Inspired by the DDMC paradigm, we present a novel extension to resonant DDMC (rDDMC) in which diffusion in space and frequency are treated on equal footing. We explore the robustness of our new method and demonstrate a level of performance that justifies incorporating the method into existing Lyα codes. We present computational speedups of ˜102-106 relative to contemporary MCRT implementations with schemes that skip scattering in the core of the line profile. This is because the rDDMC runtime scales with the spatial and frequency resolution rather than the number of scatterings—the latter is typically ∝τ0 for static media, or ∝(aτ0)2/3 with core-skipping. We anticipate new frontiers in which on-the-fly Lyα radiative transfer calculations are feasible in 3D RHD. More generally, rDDMC is transferable to any computationally demanding problem amenable to a Fokker-Planck approximation of frequency redistribution.

Charge transfer excitations from excited state Hartree-Fock subsequent minimization scheme

International Nuclear Information System (INIS)

Theophilou, Iris; Tassi, M.; Thanos, S.

2014-01-01

Photoinduced charge-transfer processes play a key role for novel photovoltaic phenomena and devices. Thus, the development of ab initio methods that allow for an accurate and computationally inexpensive treatment of charge-transfer excitations is a topic that nowadays attracts a lot of scientific attention. In this paper we extend an approach recently introduced for the description of single and double excitations [M. Tassi, I. Theophilou, and S. Thanos, Int. J. Quantum Chem. 113, 690 (2013); M. Tassi, I. Theophilou, and S. Thanos, J. Chem. Phys. 138, 124107 (2013)] to allow for the description of intermolecular charge-transfer excitations. We describe an excitation where an electron is transferred from a donor system to an acceptor one, keeping the excited state orthogonal to the ground state and avoiding variational collapse. These conditions are achieved by decomposing the space spanned by the Hartree-Fock (HF) ground state orbitals into four subspaces: The subspace spanned by the occupied orbitals that are localized in the region of the donor molecule, the corresponding for the acceptor ones and two more subspaces containing the virtual orbitals that are localized in the neighborhood of the donor and the acceptor, respectively. Next, we create a Slater determinant with a hole in the subspace of occupied orbitals of the donor and a particle in the virtual subspace of the acceptor. Subsequently we optimize both the hole and the particle by minimizing the HF energy functional in the corresponding subspaces. Finally, we test our approach by calculating the lowest charge-transfer excitation energies for a set of tetracyanoethylene-hydrocarbon complexes that have been used earlier as a test set for such kind of excitations

Radiation transfer and stellar atmospheres

Science.gov (United States)

Swihart, T. L.

This is a revised and expanded version of the author's Basic Physics of Stellar Atmospheres, published in 1971. The equation of transfer is considered, taking into account the intensity and derived quantities, the absorption coefficient, the emission coefficient, the source function, and special integrals for plane media. The gray atmosphere is discussed along with the nongray atmosphere, and aspects of line formation. Topics related to polarization are explored, giving attention to pure polarized radiation, general polarized radiation, transfer in a magnetic plasma, and Rayleigh scattering and the sunlit sky. Physical and astronomical constants, and a number of problems related to the subjects of the book are presented in an appendix.

Spectral Properties of Dyes with Interfragmental Charge Transfer: Solvatochromism and Solvatofluorochromism of 2-(3-Coumaroyl-benzopyrylium Perchlorates

Directory of Open Access Journals (Sweden)

Edward V. Sanin

2014-01-01

Full Text Available The paper deals with the spectral properties of dyes with interfragmental charge transfer, in particular, derivatives of 2-(3-coumaroylbenzopyrylium (CBP perchlorates. The positions of long-wavelength absorption and emission bands, quantum yields, and lifetimes of fluorescence were measured, mostly in aprotic solvents. Regression analysis of the relationship between the spectral characteristics of CBP and the main solvent parameters (polarity, polarisability, nucleophilicity, and electrophilicity was carried out. It was found that the characteristics of CBP depend mainly on two solvent parameters—polarity and/or nucleophilicity. An increase in these parameters results in a hypsochromic shift of absorption bands and a decrease of lifetimes and fluorescence intensity. The positions of the emission bands can demonstrate either hypsochromism or bathochromism, depending on the nature of the substituents. The solvatofluorochromic effects are not as strong as the solvatochromic ones. We believe that the spectral behaviour of CBP can be explained by cation depolarisation and by a decrease in the stability of nucleophilic complexes with solvent molecules that is associated with interfragmental charge transfer following excitation, relaxation, and radiative deactivation of the excited state.

Incorporation of charge transfer into the explicit polarization fragment method by grand canonical density functional theory.

Science.gov (United States)

Isegawa, Miho; Gao, Jiali; Truhlar, Donald G

2011-08-28

Molecular fragmentation algorithms provide a powerful approach to extending electronic structure methods to very large systems. Here we present a method for including charge transfer between molecular fragments in the explicit polarization (X-Pol) fragment method for calculating potential energy surfaces. In the conventional X-Pol method, the total charge of each fragment is preserved, and charge transfer between fragments is not allowed. The description of charge transfer is made possible by treating each fragment as an open system with respect to the number of electrons. To achieve this, we applied Mermin's finite temperature method to the X-Pol wave function. In the application of this method to X-Pol, the fragments are open systems that partially equilibrate their number of electrons through a quasithermodynamics electron reservoir. The number of electrons in a given fragment can take a fractional value, and the electrons of each fragment obey the Fermi-Dirac distribution. The equilibrium state for the electrons is determined by electronegativity equalization with conservation of the total number of electrons. The amount of charge transfer is controlled by re-interpreting the temperature parameter in the Fermi-Dirac distribution function as a coupling strength parameter. We determined this coupling parameter so as to reproduce the charge transfer energy obtained by block localized energy decomposition analysis. We apply the new method to ten systems, and we show that it can yield reasonable approximations to potential energy profiles, to charge transfer stabilization energies, and to the direction and amount of charge transferred. © 2011 American Institute of Physics

Modeling Radiative Heat Transfer and Turbulence-Radiation Interactions in Engines

Energy Technology Data Exchange (ETDEWEB)

Paul, Chandan [Pennsylvania State Univ., University Park, PA (United States); Sircar, Arpan [Pennsylvania State Univ., University Park, PA (United States); Ferreyro-Fernandez, Sebastian [Pennsylvania State Univ., University Park, PA (United States); Imren, Abdurrahman [Pennsylvania State Univ., University Park, PA (United States); Haworth, Daniel C [Pennsylvania State Univ., University Park, PA (United States); Roy, Somesh P [Marquette University (United States); Ge, Wenjun [University of California Merced (United States); Modest, Michael F [University of California Merced (United States)

2017-04-26

Detailed radiation modelling in piston engines has received relatively little attention to date. Recently, it is being revisited in light of current trends towards higher operating pressures and higher levels of exhaust-gas recirculation, both of which enhance molecular gas radiation. Advanced high-efficiency engines also are expected to function closer to the limits of stable operation, where even small perturbations to the energy balance can have a large influence on system behavior. Here several different spectral radiation property models and radiative transfer equation (RTE) solvers have been implemented in an OpenFOAM-based engine CFD code, and simulations have been performed for a full-load (peak pressure ~200 bar) heavy-duty diesel engine. Differences in computed temperature fields, NO and soot levels, and wall heat transfer rates are shown for different combinations of spectral models and RTE solvers. The relative importance of molecular gas radiation versus soot radiation is examined. And the influence of turbulence-radiation interactions is determined by comparing results obtained using local mean values of composition and temperature to compute radiative emission and absorption with those obtained using a particle-based transported probability density function method.

Positronium Inhibition and Quenching by Organic Electron Acceptors and Charge Transfer Complexes

DEFF Research Database (Denmark)

Jansen, P.; Eldrup, Morten Mostgaard; Jensen, Bror Skytte

1975-01-01

Positron lifetime measurements were performed on a series of organic electron acceptors and charge-transfer complexes in solution. The acceptors cause both positronium (Ps) inhibition (with maybe one exception) and quenching, but when an acceptor takes part in a charge-transfer complex...... in terms of the spur reaction model of Ps formation. Correlation was also made to gas phase reaction between electron acceptors and free electron, as well as to pulse radiolysis data....

Barrier discharge. The transferred charge and ozone synthesis

International Nuclear Information System (INIS)

Gibalov, V.I.; Samoilovich, V.G.

1991-01-01

We have undertaken an experimental investigation of the influence of the conditions of barrier discharge implementation such as: the discharge gap value, the type of gas, and the polarity and dielectric permittivity of the dielectric electrode on the value of charge transferred in a micro-discharge. It is shown that the increase in the specific capacitance of the electrodes leads to proportional increase in the transferred charge value, reaching 100-200 nC in a discharge gap 1 mm, in air. In this case the amplitude and duration of a current pulse in the microdischarge reach, respectively, 10 to 15 A and 40 ns. It is also demonstrated that in air with increase in the discharge gap value one can observe a decrease in the efficiency of the ozone synthesis whereas in oxygen there exists a more complicated dependence: the maximum of efficiency is observed at a discharge gap value of 0.7 to 1.0 mm. (orig.)

Changes in wetting and contact charge transfer by femtosecond laser-ablation of polyimide

Energy Technology Data Exchange (ETDEWEB)

Guo, X.D., E-mail: xiaodong.guo@uib.no [Department of Physics and Technology, Allegaten 55, 5020 Bergen, University of Bergen (Norway); Dai, Y.; Gong, M. [Department of Physics, Shanghai 200444, Shanghai University (China); Qu, Y.G. [Center for Geobiology, Allegaten 41, 5020 Bergen, University of Bergen (Norway); Helseth, L.E. [Department of Physics and Technology, Allegaten 55, 5020 Bergen, University of Bergen (Norway)

2015-09-15

Highlights: • Laser ablation significantly reduced the triboelectric charging of polyimide films. • Hierarchical micro/nanostructures formed on the surface of the sample. • Structural anisotropy leads to spatially varying contact angles of water droplets. • Raman spectroscopy revealed a carbonization of the polyimide sample. • The corresponding loss of insulation may explain the reduction of charge transfer. - Abstract: In this study it is demonstrated that the triboelectric charging of polyimide thin films is significantly reduced by using a femtosecond laser to nanostructure its. It is found that the contact charge transfer between laser-ablated Kapton and aluminum is almost negligible, and even much lower than the significant current occurring when non-treated Kapton touches the metal. Scanning electron microscopy demonstrates that laser ablation produces a hierarchical micro and nanostructure, and it is found that the structural anisotropy leads to spatially varying contact angles of water droplets residing on the surface. Raman spectra suggest that the centers of the laser-ablated tracks are carbonized; therefore, the loss of insulation can be responsible for the reduction of charge transfer.

A relativistic radiation transfer benchmark

International Nuclear Information System (INIS)

Munier, A.

1988-01-01

We use the integral form of the radiation transfer equation in an one dimensional slab to determine the time-dependent propagation of the radiation energy, flux and pressure in a collisionless homogeneous medium. First order v/c relativistic terms are included and the solution is given in the fluid frame and the laboratory frame

RRTM: A rapid radiative transfer model

Energy Technology Data Exchange (ETDEWEB)

Mlawer, E.J.; Taubman, S.J.; Clough, S.A. [Atmospheric and Environmental Research, Inc., Cambridge, MA (United States)

1996-04-01

A rapid radiative transfer model (RRTM) for the calculation of longwave clear-sky fluxes and cooling rates has been developed. The model, which uses the correlated-k method, is both accurate and computationally fast. The foundation for RRTM is the line-by-line radiative transfer model (LBLRTM) from which the relevant k-distributions are obtained. LBLRTM, which has been extensively validated against spectral observations e.g., the high-resolution sounder and the Atmospheric Emitted Radiance Interferometer, is used to validate the flux and cooling rate results from RRTM. Validations of RRTM`s results have been performed for the tropical, midlatitude summer, and midlatitude winter atmospheres, as well as for the four Intercomparison of Radiation Codes in Climate Models (ICRCCM) cases from the Spectral Radiance Experiment (SPECTRE). Details of some of these validations are presented below. RRTM has the identical atmospheric input module as LBLRTM, facilitating intercomparisons with LBLRTM and application of the model at the Atmospheric Radiation Measurement Cloud and Radiation Testbed sites.

Dissociative electron attachment and charge transfer in condensed matter

International Nuclear Information System (INIS)

Bass, A.D.; Sanche, L.

2003-01-01

Experiments using energy-selected beams of electrons incident from vacuum upon thin vapour deposited solids show that, as in the gas-phase, scattering cross sections at low energies are dominated by the formation of temporary negative ions (or resonances) and that molecular damage may be effected via dissociative electron attachment (DEA). Recent results also show that charge transfer between anionic states of target molecules and their environment is often crucial in determining cross sections for electron driven processes. Here, we review recent work from our laboratory, in which charge transfer is observed. For rare gas solids, electron exchange between the electron-exciton complex and either a metal substrate or co-adsorbed molecule enhances the desorption of metastable atoms and/or molecular dissociation. We discuss how transient electron capture by surface electron states of a substrate and subsequent electron transfer to a molecular adsorbate enhances the effective cross sections for DEA. We also consider the case of DEA to CF 2 Cl 2 condensed on water and ammonia ices, where electron exchange between pre-solvated electron states of ice and transient molecular anions can also increase DEA cross sections. Electron transfer from molecular resonances into pre-solvated electron states of ice is also discussed

Neutronics methods for thermal radiative transfer

International Nuclear Information System (INIS)

Larsen, E.W.

1988-01-01

The equations of thermal radiative transfer are time discretized in a semi-implicit manner, yielding a linear transport problem for each time step. The governing equation in this problem has the form of a neutron transport equation with fission but no scattering. Numerical methods are described, whose origins lie in neutron transport, and that have been successfully adapted to this new problem. Acceleration methods that have been developed specifically for the radiative transfer problem, but may have generalizations applicable in neutronics problems, are also discussed

Radiative transfer in type I supernovae atmospheres

International Nuclear Information System (INIS)

Isern, J.; Lopez, R.; Simonneau, E.

1987-01-01

Type I Supernovae are thought to be the result of the thermonuclear explosion of a carbon oxygen white dwarf in a close binary system. As the only direct information concerning the physics and the triggering mechanism of supernova explosions comes from the spectrophotometry of the emitted radiation, it is worthwhile to put considerable effort on the understanding of the radiation transfer in the supernovae envelopes in order to set constraints on the theoretical models of such explosions. In this paper we analyze the role played by the layers curvature on the radiative transfer. (Author)

Fundamental radiation effect on polymers energy transfer from radiation to polymer

International Nuclear Information System (INIS)

Seguchi, T.

2007-01-01

Polymer modification as cross-link, chain scission, and graft-polymerization by radiation is initiated by the quantum energy transferred from radiation to polymers. The active species for chemical reactions are produced through ionization or activation of polymer molecules for any radiation source. The energy transfer occurs mainly by ionic interaction between radiation and polymer molecule, and the contribution from the collision interaction is miner. The radiation of electromagnetic wave as X-ray or γ-ray generates the energetic electron which induces ionic interaction with polymer molecule. The energy loss profile along the penetration to polymer material is much different among the radiation sources of EB, γ-ray, and ion beams in the macroscopic mechanism. In this article, the behavior of single event, that is, the event induced by one electron, γ-ray, ion, and neutron is described by the macroscopic mechanism and by the microscopic mechanism. (authors)

Charge-Transfer Complexes Studied by Dynamic Force Spectroscopy

Directory of Open Access Journals (Sweden)

Jurriaan Huskens

2013-03-01

Full Text Available In this paper, the strength and kinetics of two charge-transfer complexes, naphthol-methylviologen and pyrene-methylviologen, are studied using dynamic force spectroscopy. The dissociation rates indicate an enhanced stability of the pyrene-methylviologen complex, which agrees with its higher thermodynamic stability compared to naphthol-methylviologen complex.

Towards linearization of atmospheric radiative transfer in spherical geometry

International Nuclear Information System (INIS)

Walter, Holger H.; Landgraf, Jochen

2005-01-01

We present a general approach for the linearization of radiative transfer in a spherical planetary atmosphere. The approach is based on the forward-adjoint perturbation theory. In the first part we develop the theoretical background for a linearization of radiative transfer in spherical geometry. Using an operator formulation of radiative transfer allows one to derive the linearization principles in a universally valid notation. The application of the derived principles is demonstrated for a radiative transfer problem in simplified spherical geometry in the second part of this paper. Here, we calculate the derivatives of the radiance at the top of the atmosphere with respect to the absorption properties of a trace gas species in the case of a nadir-viewing satellite instrument

Energy and charge transfer in ionized argon coated water clusters

International Nuclear Information System (INIS)

Kočišek, J.; Lengyel, J.; Fárník, M.; Slavíček, P.

2013-01-01

We investigate the electron ionization of clusters generated in mixed Ar-water expansions. The electron energy dependent ion yields reveal the neutral cluster composition and structure: water clusters fully covered with the Ar solvation shell are formed under certain expansion conditions. The argon atoms shield the embedded (H 2 O) n clusters resulting in the ionization threshold above ≈15 eV for all fragments. The argon atoms also mediate more complex reactions in the clusters: e.g., the charge transfer between Ar + and water occurs above the threshold; at higher electron energies above ∼28 eV, an excitonic transfer process between Ar + * and water opens leading to new products Ar n H + and (H 2 O) n H + . On the other hand, the excitonic transfer from the neutral Ar* state at lower energies is not observed although this resonant process was demonstrated previously in a photoionization experiment. Doubly charged fragments (H 2 O) n H 2 2+ and (H 2 O) n 2+ ions are observed and Intermolecular Coulomb decay (ICD) processes are invoked to explain their thresholds. The Coulomb explosion of the doubly charged cluster formed within the ICD process is prevented by the stabilization effect of the argon solvent

Charge Carrier Dynamics at Silver Nanocluster-Molecular Acceptor Interfaces

KAUST Repository

Almansaf, Abdulkhaleq

2017-07-01

A fundamental understanding of interfacial charge transfer at donor-acceptor interfaces is very crucial as it is considered among the most important dynamical processes for optimizing performance in many light harvesting systems, including photovoltaics and photo-catalysis. In general, the photo-generated singlet excitons in photoactive materials exhibit very short lifetimes because of their dipole-allowed spin radiative decay and short diffusion lengths. In contrast, the radiative decay of triplet excitons is dipole forbidden; therefore, their lifetimes are considerably longer. The discussion in this thesis primarily focuses on the relevant parameters that are involved in charge separation (CS), charge transfer (CT), intersystem crossing (ISC) rate, triplet state lifetime, and carrier recombination (CR) at silver nanocluster (NCs) molecular-acceptors interfaces. A combination of steady-state and femto- and nanosecond broadband transient absorption spectroscopies were used to investigate the charge carrier dynamics in various donor-acceptor systems. Additionally, this thesis was prolonged to investigate some important factors that influence the charge carrier dynamics in Ag29 silver NCs donor-acceptor systems, such as the metal doping and chemical structure of the nanocluster and molecular acceptors. Interestingly, clear correlations between the steady-state measurements and timeresolved spectroscopy results are found. In the first study, we have investigated the interfacial charge transfer dynamics in positively charged meso units of 5, 10, 15, 20-tetra (1- methyl-4-pyridino)-porphyrin tetra (p-toluene sulfonate) (TMPyP) and neutral charged 5, 10, 15, 20-tetra (4-pyridyl)-porphyrin (TPyP), with negatively charged undoped and gold (Au)- doped silver Ag29 NCs. Moreover, this study showed the impact of Au doping on the charge carrier dynamics of the system. In the second study, we have investigated the interfacial charge transfer dynamics in [Pt2 Ag23 Cl7 (PPh3

Charge transfer in conjugated oligomers encapsulated into carbon nanotubes

Energy Technology Data Exchange (ETDEWEB)

Almadori, Y.; Alvarez, L.; Michel, T.; Le Parc, R.; Bantignies, J.L.; Hermet, P.; Sauvajol, J.L. [Laboratoire Charles Coulomb UMR 5521, Universite Montpellier 2, 34095 Montpellier (France); Laboratoire Charles Coulomb UMR 5521, CNRS, 34095 Montpellier (France); Arenal, R. [Laboratoire d' Etude des Microstructures, CNRS-ONERA, 92322 Chatillon (France); Laboratorio de Microscopias Avanzadas, Instituto de Nanociencia de Aragon, U. Zaragoza, 50018 Zaragoza (Spain); Babaa, R. [Laboratoire de Chimie des Surfaces et Interfaces, CEA, IRAMIS, SPCSI, 91191 Gif-sur-Yvette Cedex (France); Chemical Engineering Department, University of Technology PETRONAS, UTP, Ipoh-Perak (Malaysia); Jouselme, B.; Palacin, S. [Laboratoire de Chimie des Surfaces et Interfaces, CEA, IRAMIS, SPCSI, 91191 Gif-sur-Yvette Cedex (France)

2011-11-15

This study deals with a hybrid system consisting in quaterthiophene derivative encapsulated inside single-walled and multi-walled carbon nanotubes. Investigations of the encapsulation step are performed by transmission electron microscopy. Raman spectroscopy data point out different behaviors depending on the laser excitation energy with respect to the optical absorption of quaterthiophene. At low excitation energy (far from the oligomer resonance window) there is no significant modification of the Raman spectra before and after encapsulation. By contrast, at high excitation energy (close to the oligomer resonance window), Raman spectra exhibit a G-band shift together with an important RBM intensity loss, suggesting a significant charge transfer between the inserted molecule and the host nanotubes. Those results suggest a photo induced process leading to a significant charge transfer. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Modelling charge storage in Euclid CCD structures

International Nuclear Information System (INIS)

Clarke, A S; Holland, A; Hall, D J; Burt, D

2012-01-01

The primary aim of ESA's proposed Euclid mission is to observe the distribution of galaxies and galaxy clusters, enabling the mapping of the dark architecture of the universe [1]. This requires a high performance detector, designed to endure a harsh radiation environment. The e2v CCD204 image sensor was redesigned for use on the Euclid mission [2]. The resulting e2v CCD273 has a narrower serial register electrode and transfer channel compared to its predecessor, causing a reduction in the size of charge packets stored, thus reducing the number of traps encountered by the signal electrons during charge transfer and improving the serial Charge Transfer Efficiency (CTE) under irradiation [3]. The proposed Euclid CCD has been modelled using the Silvaco TCAD software [4], to test preliminary calculations for the Full Well Capacity (FWC) and the channel potential of the device and provide indications of the volume occupied by varying signals. These results are essential for the realisation of the mission objectives and for radiation damage studies, with the aim of producing empirically derived formulae to approximate signal-volume characteristics in the devices. These formulae will be used in the radiation damage (charge trapping) models. The Silvaco simulations have been tested against real devices to compare the experimental measurements to those predicted in the models. Using these results, the implications of this study on the Euclid mission can be investigated in more detail.

Symmetric resonance double charge transfer in Kr++ + Kr and Xe++ + Xe systems

International Nuclear Information System (INIS)

Okuno, K.; Koizumi, T.; Kaneko, Y.

1978-01-01

Cross sections of processes Kr ++ + Kr → Ke + Kr ++ and Xe ++ + Xe → Xe + Xe ++ were measured by the injected-ion-drift-tube technique from 0.04 to 20 eV. For both cases, the cross section below 1 eV coincides with the orbiting cross sections with a charge-transfer probability 1/2. Above 1 eV, the energy dependence of the cross sectcion is like that for single charge transfer. Mobilities of Kr ++ and Xe ++ in He are presented also

Evaluation method for radiative heat transfer in polydisperse water droplets

International Nuclear Information System (INIS)

Maruyama, Shigenao; Nakai, Hirotaka; Sakurai, Atsushi; Komiya, Atsuki

2008-01-01

Simplifications of the model for nongray radiative heat transfer analysis in participating media comprised of polydisperse water droplets are presented. Databases of the radiative properties for a water droplet over a wide range of wavelengths and diameters are constructed using rigorous Mie theory. The accuracy of the radiative properties obtained from the database interpolation is validated by comparing them with those obtained from the Mie calculations. The radiative properties of polydisperse water droplets are compared with those of monodisperse water droplets with equivalent mean diameters. Nongray radiative heat transfer in the anisotropic scattering fog layer, including direct and diffuse solar irradiations and infrared sky flux, is analyzed using REM 2 . The radiative heat fluxes within the fog layer containing polydisperse water droplets are compared with those in the layer containing monodisperse water droplets. Through numerical simulation of the radiative heat transfer, polydisperse water droplets can be approximated by using the Sauter diameter, a technique that can be useful in several research fields, such as engineering and atmospheric science. Although this approximation is valid in the case of pure radiative transfer problems, the Sauter diameter is reconfirmed to be the appropriate diameter for approximating problems in radiative heat transfer, although volume-length mean diameter shows better accordance in some cases. The CPU time for nongray radiative heat transfer analysis with a fog model is evaluated. It is proved that the CPU time is decreased by using the databases and the approximation method for polydisperse particulate media

Strain-induced modulation of near-field radiative transfer.

Science.gov (United States)

Ghanekar, Alok; Ricci, Matthew; Tian, Yanpei; Gregory, Otto; Zheng, Yi

2018-06-11

In this theoretical study, we present a near-field thermal modulator that exhibits change in radiative heat transfer when subjected to mechanical stress/strain. The device has two terminals at different temperatures separated by vacuum: one fixed and one stretchable. The stretchable side contains one-dimensional grating. When subjected to mechanical strain, the effective optical properties of the stretchable side are affected upon deformation of the grating. This results in modulation of surface waves across the interfaces influencing near-field radiative heat transfer. We show that for a separation of 100 nm, it is possible to achieve 25% change in radiative heat transfer for a strain of 10%.

A two-dimensional position sensitive gas chamber with scanned charge transfer readout

Energy Technology Data Exchange (ETDEWEB)

Gomez, F. E-mail: faustgr@usc.es; Iglesias, A.; Lobato, R.; Mosquera, J.; Pardo, J.; Pena, J.; Pazos, A.; Pombar, M.; Rodriguez, A

2003-10-21

We have constructed and tested a two-dimensional position sensitive parallel-plate gas ionization chamber with scanned charge transfer readout. The scan readout method described here is based on the development of a new position-dependent charge transfer technique. It has been implemented by using gate strips perpendicularly oriented to the collector strips. This solution reduces considerably the number of electronic readout channels needed to cover large detector areas. The use of a 25 {mu}m thick kapton etched circuit allows high charge transfer efficiency with a low gating voltage, consequently needing a very simple commutating circuit. The present prototype covers 8x8 cm{sup 2} with a pixel size of 1.27x1.27 mm{sup 2}. Depending on the intended use and beam characteristics a smaller effective pixel is feasible and larger active areas are possible. This detector can be used for X-ray or other continuous beam intensity profile monitoring.

A two-dimensional position sensitive gas chamber with scanned charge transfer readout

International Nuclear Information System (INIS)

Gomez, F.; Iglesias, A.; Lobato, R.; Mosquera, J.; Pardo, J.; Pena, J.; Pazos, A.; Pombar, M.; Rodriguez, A.

2003-01-01

We have constructed and tested a two-dimensional position sensitive parallel-plate gas ionization chamber with scanned charge transfer readout. The scan readout method described here is based on the development of a new position-dependent charge transfer technique. It has been implemented by using gate strips perpendicularly oriented to the collector strips. This solution reduces considerably the number of electronic readout channels needed to cover large detector areas. The use of a 25 μm thick kapton etched circuit allows high charge transfer efficiency with a low gating voltage, consequently needing a very simple commutating circuit. The present prototype covers 8x8 cm 2 with a pixel size of 1.27x1.27 mm 2 . Depending on the intended use and beam characteristics a smaller effective pixel is feasible and larger active areas are possible. This detector can be used for X-ray or other continuous beam intensity profile monitoring

3D radiative transfer in stellar atmospheres

International Nuclear Information System (INIS)

Carlsson, M

2008-01-01

Three-dimensional (3D) radiative transfer in stellar atmospheres is reviewed with special emphasis on the atmospheres of cool stars and applications. A short review of methods in 3D radiative transfer shows that mature methods exist, both for taking into account radiation as an energy transport mechanism in 3D (magneto-) hydrodynamical simulations of stellar atmospheres and for the diagnostic problem of calculating the emergent spectrum in more detail from such models, both assuming local thermodynamic equilibrium (LTE) and in non-LTE. Such methods have been implemented in several codes, and examples of applications are given.

Charge transfer in pi-stacked systems including DNA

International Nuclear Information System (INIS)

Siebbeles, L.D.A.

2003-01-01

Charge migration in DNA is a subject of intense current study motivated by long-range detection of DNA damage and the potential application of DNA as a molecular wire in nanoscale electronic devices. A key structural element, which makes DNA a medium for long-range charge transfer, is the array of stacked base pairs in the interior of the double helix. The overlapping pi-orbitals of the nucleobases provide a pathway for motion of charge carriers generated on the stack. This 'pi-pathway' resembles the columnarly stacked macrocyclic cores in discotic materials such as triphenylenes. The structure of these pi-stacked systems is highly disordered with dynamic fluctuations occurring on picosecond to nanosecond time scales. Theoretical calculations, concerning the effects of structural disorder and nucleobase sequence in DNA, on the dynamics of charge carriers are presented. Electronic couplings and localization energies of charge carriers were calculated using density functional theory (DFT). Results for columnarly stacked triphenylenes and DNA nucleobases are compared. The results are used to provide insight into the factors that control the mobility of charge carriers. Further, experimental results on the site-selective oxidation of guanine nucleobases in DNA (hot spots for DNA damage) are analyzed on basis of the theoretical results

Electron transfer and decay processes of highly charged iodine ions

International Nuclear Information System (INIS)

Sakaue, Hiroyuki A.; Danjo, Atsunori; Hosaka, Kazumoto

2005-01-01

In the present experimental work we have investigated multi-electron transfer processes in I q+ (q=10, 15, 20 and 25) + Ne, Ar, Kr and Xe collisions at 1.5q keV energy. The branching ratios between Auger and radiative decay channels have been measured in decay processes of multiply excited states formed by multi-electron transfer collisions. It has been shown that, in all the multi-electron transfer processes investigated, the Auger decays are far dominant over the radiative decay processes and the branching ratios are clearly characterized by the average principal quantum number of the initial excited states of projectile ions. We could express the branching ratios in high Rydberg states formed in multi-electron transfer processes by using the decay probability of one Auger electron emission. (author)

Ion-atom charge-transfer system for a heavy-ion-beam pumped laser

International Nuclear Information System (INIS)

Ulrich, A.; Gernhaeuser, R.; Kroetz, W.; Wieser, J.; Murnick, D.E.

1994-01-01

An Ar target to which Cs vapor could be added, excited by a pulsed beam of 100-MeV 32 S ions, was studied as a prototype ion-atom charge-transfer system for pumping short-wavelength lasers. Low-velocity Ar 2+ ions were efficiently produced; a huge increase in the intensity of the Ar II 4d-4p spectral lines was observed when Cs vapor was added to the argon. This observation is explained by a selective charge transfer of the Cs 6s electron into the upper levels of the observed transitions. A rate constant of (1.4±0.2)x10 -9 cm 3 /s for the transfer process was determined

The influence of electric charge transferred during electro-mechanical reshaping on mechanical behavior of cartilage

Science.gov (United States)

Protsenko, Dimitry E.; Lim, Amanda; Wu, Edward C.; Manuel, Cyrus; Wong, Brian J. F.

2011-03-01

Electromechanical reshaping (EMR) of cartilage has been suggested as an alternative to the classical surgical techniques of modifying the shape of facial cartilages. The method is based on exposure of mechanically deformed cartilaginous tissue to a low level electric field. Electro-chemical reactions within the tissue lead to reduction of internal stress, and establishment of a new equilibrium shape. The same reactions offset the electric charge balance between collagen and proteoglycan matrix and interstitial fluid responsible for maintenance of cartilage mechanical properties. The objective of this study was to investigate correlation between the electric charge transferred during EMR and equilibrium elastic modulus. We used a finite element model based on the triphasic theory of cartilage mechanical properties to study how electric charges transferred in the electro-chemical reactions in cartilage can change its mechanical responses to step displacements in unconfined compression. The concentrations of the ions, the strain field and the fluid and ion velocities within the specimen subject to an applied mechanical deformation were estimated and apparent elastic modulus (the ratio of the equilibrium axial stress to the axial strain) was calculated as a function of transferred charge. The results from numerical calculations showed that the apparent elastic modulus decreases with increase in electric charge transfer. To compare numerical model with experimental observation we measured elastic modulus of cartilage as a function of electric charge transferred in electric circuit during EMR. Good correlation between experimental and theoretical data suggests that electric charge disbalance is responsible for alteration of cartilage mechanical properties.

Theoretical studies of charge transfer and proton transfer complex formation between 3,5-dinitrobenzic acid and 1,2-dimethylimidazole

Science.gov (United States)

Afroz, Ziya; Faizan, Mohd.; Alam, Mohammad Jane; Ahmad, Shabbir; Ahmad, Afaq

2018-05-01

Natural atomic charge analysis and molecular electrostatic potential (MEP) surface analysis of hydrogen bonded charge transfer (HBCT) and proton transfer (PT) complex of 3,5-dinitrobenzoic acid (DNBA) and 1,2-dimethylimidazole (DMI) have been investigated by theoretical modelling using widely employed DFT/B3LYP/6-311G(d,p) level of theory. Along with this analysis, Hirshfeld surface study of the intermolecular interactions and associated 2D finger plot for reported PT complex between DNBA and DMI have been explored.

Charge transfer in gas electron multipliers

Energy Technology Data Exchange (ETDEWEB)

Ottnad, Jonathan; Ball, Markus; Ketzer, Bernhard; Ratza, Viktor; Razzaghi, Cina [HISKP, Bonn University, Nussallee 14-16, D-53115 Bonn (Germany)

2015-07-01

In order to efficiently employ a Time Projection Chamber (TPC) at interaction rates higher than ∝1 kHz, as foreseen e.g. in the ALICE experiment (CERN) and at CB-ELSA (Bonn), a continuous operation and readout mode is required. A necessary prerequisite is to minimize the space charge coming from the amplification system and to maintain an excellent spatial and energy resolution. Unfortunately these two goals can be in conflict to each other. Gas Electron Multipliers (GEM) are one candidate to fulfill these requirements. It is necessary to understand the processes within the amplification structure to find optimal operation conditions. To do so, we measure the charge transfer processes in and between GEM foils with different geometries and field configurations, and use an analytical model to describe the results. This model can then be used to predict and optimize the performance. The talk gives the present status of the measurements and describes the model.

The charge transfer characteristic of tetraphenylporphyrin iron chloride Langmuir–Blodgett films

International Nuclear Information System (INIS)

Du, Y.; Li, Z.H.; Qi, P.; Wang, F.; Liu, D.

2013-01-01

The charge transfer characteristic of tetraphenylporphyrin iron (III) chloride (FeP) Langmuir–Blodgett (LB) films on the surface of the ITO glass electrode was reported. When the cyclic voltammetry (CV) scanning was running, the charge transfer characteristic was controlled by the oxidation–reduction process of Fe(III)/Fe(II). The charge transfer characteristic was related to the following factors: the cross-sectional area, relative to the electrode, of FeP as the electron donor (or acceptor). The greater the cross-sectional area of the aggregation of FeP as the electron donor (or acceptor) was, the larger the number of the donated (or accepted) electrons was. The projected area of the cross-section on the ITO electrode. The greater the projected area was, the larger the number of the donated (or accepted) electrons was. The distance between the center of the electron donor (or acceptor) of FeP and the surface of ITO electrode. The smaller the distance was, the greater the rate of donating (or accepting) electrons was. The monolayer coverage, which formed because of the FeP lying on the ITO surface in the form of the monomer and aggregate, was more sensitive to detect oxygen

Transfer matrix method for four-flux radiative transfer.

Science.gov (United States)

Slovick, Brian; Flom, Zachary; Zipp, Lucas; Krishnamurthy, Srini

2017-07-20

We develop a transfer matrix method for four-flux radiative transfer, which is ideally suited for studying transport through multiple scattering layers. The model predicts the specular and diffuse reflection and transmission of multilayer composite films, including interface reflections, for diffuse or collimated incidence. For spherical particles in the diffusion approximation, we derive closed-form expressions for the matrix coefficients and show remarkable agreement with numerical Monte Carlo simulations for a range of absorption values and film thicknesses, and for an example multilayer slab.

Failures of TDDFT in describing the lowest intramolecular charge-transfer excitation in para-nitroanilin

DEFF Research Database (Denmark)

Eriksen, J.J.; Sauer, S.P.A.; Mikkelsen, K.V.

2013-01-01

We investigate the failure of Time{Dependent Density Functional Theory (TDDFT) with the CAM{B3LYP exchange{correlation (xc) functional coupled to the Polarizable Embedding (PE) scheme (PE-CAM-B3LYP) in reproducing the solvatochromic shift of the lowest intense charge{transfer excitation in para...... the electric dipole moments in the gas phase and for 100 solvent congurations. We find that CAM-B3LYP overestimates the amount of charge separation inherent in the ground state and TDDFT/CAM-B3LYP drastically underestimates this amount in the excited charge-transfer state. As the errors in the solvatochromatic...... to benchmark results of TDDFT calculations with CAM-B3LYP for intramolecular charge{transfer excitations in molecular systems similar to pNA against higher{level ab initio wave function methods, like, e.g., CCSD, prior to their use. Using the calculated change in dipole moment upon excitation as a measure...

A low-spin Fe(III) complex with 100-ps ligand-to-metal charge transfer photoluminescence

DEFF Research Database (Denmark)

Chabera, Pavel; Liu, Yizhu; Prakash, Om

2017-01-01

Transition-metal complexes are used as photosensitizers(1), in light-emitting diodes, for biosensing and in photocatalysis(2). A key feature in these applications is excitation from the ground state to a charge-transfer state(3,4); the long charge-transfer-state lifetimes typical for complexes...

Photoinduced charge transfer within polyaniline-encapsulated quantum dots decorated on graphene.

Science.gov (United States)

Nguyen, Kim Truc; Li, Dehui; Borah, Parijat; Ma, Xing; Liu, Zhaona; Zhu, Liangliang; Grüner, George; Xiong, Qihua; Zhao, Yanli

2013-08-28

A new method to enhance the stability of quantum dots (QDs) in aqueous solution by encapsulating them with conducting polymer polyaniline was reported. The polyaniline-encapsulated QDs were then decorated onto graphene through π-π interactions between graphene and conjugated polymer shell of QDs, forming stable polyaniline/QD/graphene hybrid. A testing electronic device was fabricated using the hybrid in order to investigate the photoinduced charge transfer between graphene and encapsulated QDs within the hybrid. The charge transfer mechanism was explored through cyclic voltammetry and spectroscopic studies. The hybrid shows a clear response to the laser irradiation, presenting a great advantage for further applications in optoelectronic devices.

Foundations of radiation physics and radiation protection. 5. ed.

International Nuclear Information System (INIS)

Krieger, Hanno

2017-01-01

The following topics are dealt with: Types of radiation and radiation fields, the atomic structure, radioactive decays, decay law, natural and artificial radioactivity, interactions of ionizing photon radiation, attenuation of neutral-particle beams, interactions of neutron radiation, interactions of charged particles, ionization and energy transfer, radiation doses, radiation protection phantoms, foundations of the radiation biology of cells, effects and risks of ionizing radiation, radiation expositions of men with ionizing radiation, radiation protection law, practical radiation protection against ionizing radiations, radiation eposures in medical radiology. (HSI)

Cost-Effectiveness Comparison of Coupler Designs of Wireless Power Transfer for Electric Vehicle Dynamic Charging

Directory of Open Access Journals (Sweden)

Weitong Chen

2016-11-01

Full Text Available This paper presents a cost-effectiveness comparison of coupler designs for wireless power transfer (WPT, meant for electric vehicle (EV dynamic charging. The design comparison of three common types of couplers is first based on the raw material cost, output power, transfer efficiency, tolerance of horizontal offset, and flux density. Then, the optimal cost-effectiveness combination is selected for EV dynamic charging. The corresponding performances of the proposed charging system are compared and analyzed by both simulation and experimentation. The results verify the validity of the proposed dynamic charging system for EVs.

Plasma effect on tunnelling, charge transfer and transient quasimolecular states

International Nuclear Information System (INIS)

Fisher, D V

2003-01-01

The influence of a dense plasma environment on electron tunnelling between two ion potential wells in collectivized states and in charge-transfer collisions is studied. We show that the tunnelling probabilities in dilute plasma (in a close ion-ion collision) and in dense plasma differ strongly. The difference is due to the mixing between Stark components of donor-ion energy levels, caused by the field of spectator ions in a dense plasma. The mixing is determined by an angle α between the nearest-neighbour ion field and the total electric field acting on the donor ion. In close ion-ion binary collisions the mixing may be considered weak. However, for most plasma ions charge transfer, electron state collectivization and transient quasimolecule formation are strongly affected by the field of spectator ions. We derive approximate analytical expressions for the distribution function of α in an ideal plasma and perform molecular dynamics simulations to find the distribution function of α in both ideal and nonideal plasmas. Both α-dependent and average mixing coefficients are determined. We have found that the mixing is strong, even in ideal plasmas, and increases further with an increase in plasma nonideality. It is shown that there is no resonant charge transfer in dense plasmas. The applicability of a transient 'dicenter' quasimolecule model for dense plasmas is discussed

The Influence Of Burner Locations In The Heating Furnace On The Charge Temperature Field

Directory of Open Access Journals (Sweden)

Rywotycki M.

2015-09-01

Full Text Available Charge heating in industrial furnaces is a difficult and complex process. There are many physical phenomena which influence heat transfer. At the charge surface heat transfer takes place by radiation and convection. In order to ensure correct operation of the technological system, it is necessary to achieve the required charge temperature in the whole volume and ensure its uniformity.

Atmospheric radiative transfer modeling: a summary of the AER codes

Energy Technology Data Exchange (ETDEWEB)

Clough, S.A. [Atmospheric and Environmental Research (AER) Inc., 131 Hartwell Avenue, Lexington, MA 02421-3126 (United States); Shephard, M.W. [Atmospheric and Environmental Research (AER) Inc., 131 Hartwell Avenue, Lexington, MA 02421-3126 (United States)]. E-mail: mshephar@aer.com; Mlawer, E.J. [Atmospheric and Environmental Research (AER) Inc., 131 Hartwell Avenue, Lexington, MA 02421-3126 (United States); Delamere, J.S. [Atmospheric and Environmental Research (AER) Inc., 131 Hartwell Avenue, Lexington, MA 02421-3126 (United States); Iacono, M.J. [Atmospheric and Environmental Research (AER) Inc., 131 Hartwell Avenue, Lexington, MA 02421-3126 (United States); Cady-Pereira, K. [Atmospheric and Environmental Research (AER) Inc., 131 Hartwell Avenue, Lexington, MA 02421-3126 (United States); Boukabara, S. [Atmospheric and Environmental Research (AER) Inc., 131 Hartwell Avenue, Lexington, MA 02421-3126 (United States); Brown, P.D. [Atmospheric and Environmental Research (AER) Inc., 131 Hartwell Avenue, Lexington, MA 02421-3126 (United States)

2005-03-01

The radiative transfer models developed at AER are being used extensively for a wide range of applications in the atmospheric sciences. This communication is intended to provide a coherent summary of the various radiative transfer models and associated databases publicly available from AER (http://www.rtweb.aer.com). Among the communities using the models are the remote sensing community (e.g. TES, IASI), the numerical weather prediction community (e.g. ECMWF, NCEP GFS, WRF, MM5), and the climate community (e.g. ECHAM5). Included in this communication is a description of the central features and recent updates for the following models: the line-by-line radiative transfer model (LBLRTM); the line file creation program (LNFL); the longwave and shortwave rapid radiative transfer models, RRTM{sub L}W and RRTM{sub S}W; the Monochromatic Radiative Transfer Model (MonoRTM); the MT{sub C}KD Continuum; and the Kurucz Solar Source Function. LBLRTM and the associated line parameter database (e.g. HITRAN 2000 with 2001 updates) play a central role in the suite of models. The physics adopted for LBLRTM has been extensively analyzed in the context of closure experiments involving the evaluation of the model inputs (e.g. atmospheric state), spectral radiative measurements and the spectral model output. The rapid radiative transfer models are then developed and evaluated using the validated LBLRTM model.

Radiation effects in metal-oxide-semiconductor capacitors

International Nuclear Information System (INIS)

Collins, J.L.

1987-01-01

The effects of various radiations on commercially made Al-SiO 2 -Si Capacitors (MOSCs) have been investigated. Intrinsic dielectric breakdown in MOSCs has been shown to be a two-stage process dominated by charge injection in a pre-breakdown stage; this is associated with localised high-field injection of carriers from the semiconductor substrate to interfacial and bulk charge traps which, it is proposed, leads to the formation of conducting channels through the dielectric with breakdown occurring as a result of the dissipation of the conduction band energy. A study of radiation-induced dielectric breakdown has revealed the possibility of anomalous hot-electron injection to an excess of bulk oxide traps in the ionization channel produced by very heavily ionizing radiation, which leads to intrinsic breakdown in high-field stressed devices. This is interpreted in terms of a modified model for radiation-induced dielectric breakdown based upon the primary dependence of breakdown on charge injection rather than high-field mechanisms. A detailed investigation of charge trapping and interface state generation due to various radiations has revealed evidence of neutron induced interface states, and the generation of positive oxide charge in devices due to all the radiations tested. The greater the linear energy transfer of the radiation, the greater the magnitude of charge trapped in the oxide and the number of interface states generated. This is interpreted in terms of Si-H and Si-OH bond-breaking at the Si-SiO 2 interface which is enhanced by charge carrier transfer to the interface and by anomalous charge injection to compensate for the excess of charge carriers created by the radiation. (author)

Bands dispersion and charge transfer in β-BeH2

Science.gov (United States)

Trivedi, D. K.; Galav, K. L.; Joshi, K. B.

2018-04-01

Predictive capabilities of ab-initio method are utilised to explore bands dispersion and charge transfer in β-BeH2. Investigations are carried out using the linear combination of atomic orbitals method at the level of density functional theory. The crystal structure and related parameters are settled by coupling total energy calculations with the Murnaghan equation of state. Electronic bands dispersion from PBE-GGA is reported. The PBE-GGA, and PBE0 hybrid functional, show that β-BeH2 is a direct gap semiconductor with 1.18 and 2.40 eV band gap. The band gap slowly decreases with pressure and beyond l00 GPa overlap of conduction and valence bands at the r point is observed. Charge transfer is studied by means of Mullikan population analysis.

Exciton-dopant and exciton-charge interactions in electronically doped OLEDs

International Nuclear Information System (INIS)

Williams, Christopher; Lee, Sergey; Ferraris, John; Zakhidov, A. Anvar

2004-01-01

The electronic dopants, like tetrafluorocyanoquinodimethane (F 4 -TCNQ) molecules, used for p-doping of hole transport layers in organic light-emitting diodes (OLEDs) are found to quench the electroluminescence (EL) if they diffuse into the emissive layer. We observed EL quenching in OLED with F 4 -TCNQ doped N,N'-diphenyl-N'N'-bis(1-naphthyl)-1,1'-biphenyl-4,4'-diamine hole transport layer at large dopant concentrations, >5%. To separate the effects of exciton-dopant quenching, from exciton-polaron quenching we have intentionally doped the emissive layer of (8-tris-hydroxyquinoline) with three acceptors (A) of different electron affinities: F 4 -TCNQ, TCNQ, and C 60 , and found that C 60 is the strongest EL-quencher, while F 4 -TCNQ is the weakest, contrary to intuitive expectations. The new effects of charge transfer and usually considered energy transfer from exciton to neutral (A) and charged acceptors (A - ) are compared as channels for non-radiative Ex-A decay. At high current loads the EL quenching is observed, which is due to decay of Ex on free charge carriers, hole polarons P + . We consider contributions to Ex-P + interaction by short-range charge transfer and describe the structure of microscopic charge transfer (CT)-processes responsible for it. The formation of metastable states of 'charged excitons' (predicted and studied by Agranovich et al. Chem. Phys. 272 (2001) 159) by electron transfer from a P to an Ex is pointed out, and ways to suppress non-radiative Ex-P decay are suggested

Transfer of energy or charge between quasi-zero-dimensional nanostructures

Czech Academy of Sciences Publication Activity Database

Král, Karel; Menšík, Miroslav

2016-01-01

Roč. 45, č. 4 (2016), s. 243-255 ISSN 2332-4309 R&D Projects: GA ČR(CZ) GA14-05053S; GA MŠk(CZ) LD14011; GA MŠk LH12236 Institutional support: RVO:68378271 ; RVO:61389013 Keywords : charge transfer * electron-phonon interaction * energy transfer * nanostructures * quantum dots Subject RIV: BM - Solid Matter Physics ; Magnetism; CD - Macromolecular Chemistry (UMCH-V) Impact factor: 0.171, year: 2016

Modeling charge transfer at organic donor-acceptor semiconductor interfaces

NARCIS (Netherlands)

Cakir, Deniz; Bokdam, Menno; de Jong, Machiel Pieter; Fahlman, M.; Brocks, G.

2012-01-01

We develop an integer charge transfer model for the potential steps observed at interfaces between donor and acceptor molecular semiconductors. The potential step can be expressed as the difference between the Fermi energy pinning levels of electrons on the acceptor material and holes on the donor

Extending generalized Kubelka-Munk to three-dimensional radiative transfer.

Science.gov (United States)

Sandoval, Christopher; Kim, Arnold D

2015-08-10

The generalized Kubelka-Munk (gKM) approximation is a linear transformation of the double spherical harmonics of order one (DP1) approximation of the radiative transfer equation. Here, we extend the gKM approximation to study problems in three-dimensional radiative transfer. In particular, we derive the gKM approximation for the problem of collimated beam propagation and scattering in a plane-parallel slab composed of a uniform absorbing and scattering medium. The result is an 8×8 system of partial differential equations that is much easier to solve than the radiative transfer equation. We compare the solutions of the gKM approximation with Monte Carlo simulations of the radiative transfer equation to identify the range of validity for this approximation. We find that the gKM approximation is accurate for isotropic scattering media that are sufficiently thick and much less accurate for anisotropic, forward-peaked scattering media.

Charge transfer in photorechargeable composite films of TiO2 and polyaniline

Science.gov (United States)

Nomiyama, Teruaki; Sasabe, Kenichi; Sakamoto, Kenta; Horie, Yuji

2015-07-01

A photorechargeable battery (PRB) is a photovoltaic device having an energy storage function in a single cell. The photoactive electrode of PRB is a bilayer film consisting of bare porous TiO2 and a TiO2-polyaniline (PANi) mixture that work as a photovoltaic current generator and an electrochemical energy storage by ion dedoping, respectively. To study the charge transfer between TiO2 and PANi, the photorechargeable quantum efficiency QE ([electron count on discharge]/[incident photon count on photocharge]) was measured by varying the thickness LS of the TiO2-PANi mixture. The quantum efficiency QEuv for UV photons had a maximum of ˜7% at LS ˜ 7 µm. The time constant τTP for the charge transfer was about 10-1 s, which was longer ten times or more than the lifetime of excited electrons within TiO2. These facts reveal that the main rate-limiting factor in the photocharging process is the charge transfer between TiO2 and PANi.

Radiation and Internal Charging Environments for Thin Dielectrics in Interplanetary Space

Science.gov (United States)

Minow, Joseph I.; Parker, Linda Neergaard; Altstatt, Richard L.

2004-01-01

Spacecraft designs using solar sails for propulsion or thin membranes to shade instruments from the sun to achieve cryogenic operating temperatures are being considered for a number of missions in the next decades. A common feature of these designs are thin dielectric materials that will be exposed to the solar wind, solar energetic particle events, and the distant magnetotail plasma environments encountered by spacecraft in orbit about the Earth-Sun L2 point. This paper will discuss the relevant radiation and internal charging environments developed to support spacecraft design for both total dose radiation effects as well as dose rate dependent phenomenon, such as internal charging in the solar wind and distant magnetotail environments. We will describe the development of radiation and internal charging environment models based on nearly a complete solar cycle of Ulysses solar wind plasma measurements over a complete range of heliocentric latitudes and the early years of the Geotail mission where distant magnetotail plasma environments were sampled beyond X(sub GSE) = -100 Re to nearly L2 (X(sub GSE) -236 Re). Example applications of the environment models are shown to demonstrate the radiation and internal charging environments of thin materials exposed to the interplanetary space plasma environments.

A passive and active microwave-vector radiative transfer (PAM-VRT) model

International Nuclear Information System (INIS)

Yang, Jun; Min, Qilong

2015-01-01

A passive and active microwave vector radiative transfer (PAM-VRT) package has been developed. This fast and accurate forward microwave model, with flexible and versatile input and output components, self-consistently and realistically simulates measurements/radiation of passive and active microwave sensors. The core PAM-VRT, microwave radiative transfer model, consists of five modules: gas absorption (two line-by-line databases and four fast models); hydrometeor property of water droplets and ice (spherical and nonspherical) particles; surface emissivity (from Community Radiative Transfer Model (CRTM)); vector radiative transfer of successive order of scattering (VSOS); and passive and active microwave simulation. The PAM-VRT package has been validated against other existing models, demonstrating good accuracy. The PAM-VRT not only can be used to simulate or assimilate measurements of existing microwave sensors, but also can be used to simulate observation results at some new microwave sensors. - Highlights: • A novel microwave vector radiative transfer model is developed. • It can simulate passive and active microwave radiative transfer simultaneously. • It can be applied to simulate measurements for different types of viewing geometry. • The accuracy of this model has been validated against other existing models

Heat transfer from the evaporator outlet to the charge of thermostatic expansion valves

DEFF Research Database (Denmark)

Langmaack, Lasse Nicolai; Knudsen, Hans-Jørgen Høgaard

2006-01-01

outlet with a special mounting strap. The heat transfer is quite complex because it takes place both directly through the contact points between bulb and pipe and indirectly through the mounting strap The TXV has to react to temperature changes at the evaporator outlet. Therefore, the dynamic behavior...... of the valve (and thereby the whole refrigeration system) depends greatly on the heat transfer between the evaporator outlet tube and the charge in the bulb. In this paper a model for the overall heat transfer between the pipe and the charge is presented. Geometrical data and material properties have been kept...... been found to predict the time constant for the temperature development in the bulb within 1-10 %. Furthermore it has been found that app. 20% of the heat transfer takes place trough the mounting strap....

Charge-exchange breakup of the deuteron with the production of two protons and spin structure of the amplitude of the nucleon charge transfer reaction

International Nuclear Information System (INIS)

Glagolev, V.V.; Lyuboshits, V.L.; Lyuboshits, V.V.; Piskunov, N.M.

1999-01-01

In the framework of the impulse approximation, the relation between the effective cross section of the charge-exchange breakup of a fast deuteron d + a → (pp) + b and the effective cross section of the charge transfer process n + a → p + b is discussed. In doing so, the effects of the proton identity (Fermi-statistics) and of the Coulomb and strong interactions of protons in the final state are taken into account. The distribution over relative momenta of the protons, produced in the charge-exchange process d + p → (pp) + n in the forward direction, is investigated. At the transfer momenta being close to zero the effective cross section of the charge-exchange breakup of a fast deuteron, colliding with the proton target, is determined only by the spin-flip part of the amplitude of the charge transfer reaction n + p → p + n at the zero angle. It is shown that the study of the process d + p → (pp) + n in a beam of the polarized (aligned) deuterons allows one, in principle, to separate two spin-dependent terms in the amplitude of the charge transfer reaction n + p → p + n, one of which does not conserve and the other one conserves the projection of the nucleon spin onto the direction of momentum at the transition of the neutron into the proton

Low-Energy Charge Transfer in Multiply-Charged Ion-Atom Collisions Studied with the Combined SCVB-MOCC Approach

OpenAIRE

Cooper, D. L.; Stancil, P. C.; Turner, A. R.; Wang, J. G.; Clarke, N. J.; Zygelman, B.

2002-01-01

A survey of theoretical studies of charge transfer involving collisions of multiply-charged ions with atomic neutrals (H and He) is presented. The calculations utilized the quantum-mechanical molecular-orbital close-coupling (MOCC) approach where the requisite potential curves and coupling matrix elements have been obtained with the spin-coupled valence bond (SCVB) method. Comparison is made among various collision partners, for equicharged systems, where it is illustrated that even for total...

Possible charge analogues of spin transfer torques in bulk superconductors

Science.gov (United States)

Garate, Ion

2014-03-01

Spin transfer torques (STT) occur when electric currents travel through inhomogeneously magnetized systems and are important for the motion of magnetic textures such as domain walls. Since superconductors are easy-plane ferromagnets in particle-hole (charge) space, it is natural to ask whether any charge duals of STT phenomena exist therein. We find that the superconducting analogue of the adiabatic STT vanishes in a bulk superconductor with a momentum-independent order parameter, while the superconducting counterpart of the nonadiabatic STT does not vanish. This nonvanishing superconducting torque is induced by heat (rather than charge) currents and acts on the charge (rather than spin) degree of freedom. It can become significant in the vicinity of the superconducting transition temperature, where it generates a net quasiparticle charge and alters the dispersion and linewidth of low-frequency collective modes. This work has been financially supported by Canada's NSERC.

Charge-transfer complexes and their role in exciplex emission and near-infrared photovoltaics.

Science.gov (United States)

Ng, Tsz-Wai; Lo, Ming-Fai; Fung, Man-Keung; Zhang, Wen-Jun; Lee, Chun-Sing

2014-08-20

Charge transfer and interactions at organic heterojunctions (OHJs) are known to have critical influences on various properties of organic electronic devices. In this Research News article, a short review is given from the electronic viewpoint on how the local molecular interactions and interfacial energetics at P/N OHJs contribute to the recombination/dissociation of electron-hole pairs. Very often, the P-type materials donate electrons to the N-type materials, giving rise to charge-transfer complexes (CTCs) with a P(δ+) -N(δ-) configuration. A recently observed opposite charge-transfer direction in OHJs is also discussed (i.e., N-type material donates electrons to P-type material to form P(δ-) -N(δ+) ). Recent studies on the electronic structures of CTC-forming material pairs are also summarized. The formation of P(δ-) -N(δ+) -type CTCs and their correlations with exciplex emission are examined. Furthermore, the potential applications of CTCs in NIR photovoltaic devices are reviewed. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Deflection effects and charge transfer in inner-shell vacancy production

International Nuclear Information System (INIS)

Swafford, G.L.

1978-01-01

A method used in the calculation of inner shell ionization in asymmetric ion-atom collisions is extended to include projectile deflection effects and charge transfer to the projectile. Work is done in an independent electron model (Hartree-Fock) for the target, and the interaction is treated with the projectile as a time-dependent perturbation of the system. It is shown tht the time-dependent problem can be solved for the projectile moving along the classical hyperbolic trajectory that results from the nuclear repulsion. The method is very efficient due to the utilization the target-centered expansion of the system wave function. This means that all the required matrix elements can be pretabulated and are then available for use at all impact parameters. The method is first applied to the impact-parameter dependence of K-shell ionization by protons incident upon copper in the energy range 0.5 to 2 MeV. Excellent agreement with the experiments of Andersen et al., is found at the lower energy. Less satisfactory agreement is obtained in the higher energy region. Next the projectile is considered to move in a straight line path with constant velocity, and extend the method to include charge transfer between the target inner shells and the K-shell of the projectile. A critical feature of the results is the recognition of the importance of target continuum states of energy approximately equal to the kinetic energy (in the target frame) of the electron on the projectile. An approach is developed to properly include such resonance states in our pseudostate calculation. Selected numerical results are presented to illustrate the method and to demonstrate the projectile energy and nuclear charge dependence of the charge transfer cross sections

Some fundamental considerations of the equation of radiative transfer

International Nuclear Information System (INIS)

Kuriyan, J.G.; Sudarshan, E.C.G.

1978-10-01

The radiation transfer of the vector electromagnetic field was first formulated by Chandrasekhar while deriving the polarization characteristics of a sunlit sky. There are two subtle problems underlying this treatment. The first concerns the crucial identification of a Stokes parameter with the specific intensity of radiation. While both depend on position in 3-D space, the latter has, intrinsic to it, an additional angular dependence defining the flow of the radiation field. How can this inadequacy be remedied without damaging the results obtained heretofore from Chandrasekhar's formalism. The second problem arises from the fact that the radiative transfer equation describes the transport of an incoherent radiation field through space. This, however, seems to contradict the results of the Van Cittert-Zernike-Wolf theorem which implies that an incoherent field develops coherence as it passes through free space implying, of course, that the radiative transfer equation must involve not incoherent but partially coherent fields. The vector transfer equation of the direct beam (Beer's law) is derived from first principles. The analysis of this equation provides a satisfactory resolution of these two problems. The result also shows that the Beer's law will have to be modified to a matrix law to accommodate systems that are not spherically symmetric. 13 references

SEURAT: SPH scheme extended with ultraviolet line radiative transfer

Science.gov (United States)

Abe, Makito; Suzuki, Hiroyuki; Hasegawa, Kenji; Semelin, Benoit; Yajima, Hidenobu; Umemura, Masayuki

2018-05-01

We present a novel Lyman alpha (Ly α) radiative transfer code, SEURAT (SPH scheme Extended with Ultraviolet line RAdiative Transfer), where line scatterings are solved adaptively with the resolution of the smoothed particle hydrodynamics (SPH). The radiative transfer method implemented in SEURAT is based on a Monte Carlo algorithm in which the scattering and absorption by dust are also incorporated. We perform standard test calculations to verify the validity of the code; (i) emergent spectra from a static uniform sphere, (ii) emergent spectra from an expanding uniform sphere, and (iii) escape fraction from a dusty slab. Thereby, we demonstrate that our code solves the {Ly} α radiative transfer with sufficient accuracy. We emphasize that SEURAT can treat the transfer of {Ly} α photons even in highly complex systems that have significantly inhomogeneous density fields. The high adaptivity of SEURAT is desirable to solve the propagation of {Ly} α photons in the interstellar medium of young star-forming galaxies like {Ly} α emitters (LAEs). Thus, SEURAT provides a powerful tool to model the emergent spectra of {Ly} α emission, which can be compared to the observations of LAEs.

Effect of Molecular Packing and Charge Delocalization on the Nonradiative Recombination of Charge-Transfer States in Organic Solar Cells

KAUST Repository

Chen, Xiankai

2016-09-05

In organic solar cells, a major source of energy loss is attributed to nonradiative recombination from the interfacial charge transfer states to the ground state. By taking pentacene–C60 complexes as model donor–acceptor systems, a comprehensive theoretical understanding of how molecular packing and charge delocalization impact these nonradiative recombination rates at donor–acceptor interfaces is provided.

Maximal near-field radiative heat transfer between two plates

Science.gov (United States)

Nefzaoui, Elyes; Ezzahri, Younès; Drévillon, Jérémie; Joulain, Karl

2013-09-01

Near-field radiative transfer is a promising way to significantly and simultaneously enhance both thermo-photovoltaic (TPV) devices power densities and efficiencies. A parametric study of Drude and Lorentz models performances in maximizing near-field radiative heat transfer between two semi-infinite planes separated by nanometric distances at room temperature is presented in this paper. Optimal parameters of these models that provide optical properties maximizing the radiative heat flux are reported and compared to real materials usually considered in similar studies, silicon carbide and heavily doped silicon in this case. Results are obtained by exact and approximate (in the extreme near-field regime and the electrostatic limit hypothesis) calculations. The two methods are compared in terms of accuracy and CPU resources consumption. Their differences are explained according to a mesoscopic description of nearfield radiative heat transfer. Finally, the frequently assumed hypothesis which states a maximal radiative heat transfer when the two semi-infinite planes are of identical materials is numerically confirmed. Its subsequent practical constraints are then discussed. Presented results enlighten relevant paths to follow in order to choose or design materials maximizing nano-TPV devices performances.

Classical radiation theory of charged particles moving in electromagnetic fields in nonabsorbable isotropic media

International Nuclear Information System (INIS)

Konstantinovich, A.V.; Melnychuk, S.V.; Konstantinovich, I.A.

2002-01-01

The integral expressions for spectral-angular and spectral distributions of the radiation power of heterogeneous charged particles system moving on arbitrary trajectory in nonabsorbable isotropic media media with ε≠1 , μ≠1 are obtained using the Lorentz's self-interaction method. In this method a proper electromagnetic field, acting on electron, is defined as a semi difference between retarded and advanced potentials (Dirac, 1938). The power spectrum of Cherenkov radiation for the linear uniformly moving heterogeneous system of charged particles are obtained. It is found that the expression for the radiation power of heterogeneous system of charged particles becomes simplified when a system of charged particles is homogeneous. In this case the radiation power includes the coherent factor. It is shown what the redistribution effects in energy of the radiation spectrum of the studied system are caused by the coherent factor. The radiation spectrum of the system of electrons moving in a circle in this medium is discrete. The Doppler effect causes the appearance of the new harmonics for the system of electrons moving in a spiral. These harmonics form the region of continuous radiation spectrum. (authors)

High-order solution methods for grey discrete ordinates thermal radiative transfer

Energy Technology Data Exchange (ETDEWEB)

Maginot, Peter G., E-mail: maginot1@llnl.gov [Lawrence Livermore National Laboratory, Livermore, CA 94551 (United States); Ragusa, Jean C., E-mail: jean.ragusa@tamu.edu [Department of Nuclear Engineering, Texas A& M University, College Station, TX 77843 (United States); Morel, Jim E., E-mail: morel@tamu.edu [Department of Nuclear Engineering, Texas A& M University, College Station, TX 77843 (United States)

2016-12-15

This work presents a solution methodology for solving the grey radiative transfer equations that is both spatially and temporally more accurate than the canonical radiative transfer solution technique of linear discontinuous finite element discretization in space with implicit Euler integration in time. We solve the grey radiative transfer equations by fully converging the nonlinear temperature dependence of the material specific heat, material opacities, and Planck function. The grey radiative transfer equations are discretized in space using arbitrary-order self-lumping discontinuous finite elements and integrated in time with arbitrary-order diagonally implicit Runge–Kutta time integration techniques. Iterative convergence of the radiation equation is accelerated using a modified interior penalty diffusion operator to precondition the full discrete ordinates transport operator.

Integer charge transfer at the tetrakis(dimethylamino)ethylene/Au interface

DEFF Research Database (Denmark)

Lindell, L.; Unge, Mikael; Osikowicz, W.

2008-01-01

In organic-based electronics, interfacial properties have a profound impact on device performance. The lineup of energy levels is usually dependent on interface dipoles, which may arise from charge transfer reactions. In many applications, metal-organic junctions are prepared under ambient...

Electromagnetic radiation of charged particles in stochastic motion

Energy Technology Data Exchange (ETDEWEB)

Harko, Tiberiu [Babes-Bolyai University, Department of Physics, Cluj-Napoca (Romania); University College London, Department of Mathematics, London (United Kingdom); Mocanu, Gabriela [Astronomical Institute of the Romanian Academy, Cluj-Napoca (Romania)

2016-03-15

The study of the Brownian motion of a charged particle in electric and magnetic fields has many important applications in plasma and heavy ions physics, as well as in astrophysics. In the present paper we consider the electromagnetic radiation properties of a charged non-relativistic particle in the presence of electric and magnetic fields, of an exterior non-electromagnetic potential, and of a friction and stochastic force, respectively. We describe the motion of the charged particle by a Langevin and generalized Langevin type stochastic differential equation. We investigate in detail the cases of the Brownian motion with or without memory in a constant electric field, in the presence of an external harmonic potential, and of a constant magnetic field. In all cases the corresponding Langevin equations are solved numerically, and a full description of the spectrum of the emitted radiation and of the physical properties of the motion is obtained. The power spectral density of the emitted power is also obtained for each case, and, for all considered oscillating systems, it shows the presence of peaks, corresponding to certain intervals of the frequency. (orig.)

Radiative heat transfer in low-dimensional systems -- microscopic mode

Science.gov (United States)

Woods, Lilia; Phan, Anh; Drosdoff, David

2013-03-01

Radiative heat transfer between objects can increase dramatically at sub-wavelength scales. Exploring ways to modulate such transport between nano-systems is a key issue from fundamental and applied points of view. We advance the theoretical understanding of radiative heat transfer between nano-objects by introducing a microscopic model, which takes into account the individual atoms and their atomic polarizabilities. This approach is especially useful to investigate nano-objects with various geometries and give a detailed description of the heat transfer distribution. We employ this model to study the heat exchange in graphene nanoribbon/substrate systems. Our results for the distance separations, substrates, and presence of extended or localized defects enable making predictions for tailoring the radiative heat transfer at the nanoscale. Financial support from the Department of Energy under Contract No. DE-FG02-06ER46297 is acknowledged.

Charge transfer state in DBP:C70 organic solar cells

DEFF Research Database (Denmark)

Sherafatipour, Golenaz; Benduhn, Johannes; Spoltore, Donato

-acceptor interface via delocalized charge-transfer (CT) states, which represents an intermediate state between the exciton dissociation and recombination back to the ground state. In this work we perform the electroluminescence (EL) created by bimolecular free career recombination and sensitive external quantum...

The effect of turbulence-radiation interaction on radiative entropy generation and heat transfer

International Nuclear Information System (INIS)

Caldas, Miguel; Semiao, Viriato

2007-01-01

The analysis under the second law of thermodynamics is the gateway for optimisation in thermal equipments and systems. Through entropy minimisation techniques it is possible to increase the efficiency and overall performance of all kinds of thermal systems. Radiation, being the dominant mechanism of heat transfer in high-temperature systems, plays a determinant role in entropy generation within such equipments. Turbulence is also known to be a major player in the phenomenon of entropy generation. Therefore, turbulence-radiation interaction is expected to have a determinant effect on entropy generation. However, this is a subject that has not been dealt with so far, at least to the extent of the authors' knowledge. The present work attempts to fill that void, by studying the effect of turbulence-radiation interaction on entropy generation. All calculations are approached in such a way as to make them totally compatible with standard engineering methods for radiative heat transfer, namely the discrete ordinates method. It was found that turbulence-radiation interaction does not significantly change the spatial pattern of entropy generation, or heat transfer, but does change significantly their magnitude, in a way approximately proportional to the square of the intensity of turbulence

Charge transfer and partial pinning at the contacts as the origin of a double dip in the transfer characteristics of graphene-based field-effect transistors

International Nuclear Information System (INIS)

Di Bartolomeo, Antonio; Giubileo, Filippo; Santandrea, Salvatore; Romeo, Francesco; Citro, Roberta; Schroeder, Thomas; Lupina, Grzegorz

2011-01-01

We discuss the origin of an additional dip other than the charge neutrality point observed in the transfer characteristics of graphene-based field-effect transistors with a Si/SiO 2 substrate used as the back-gate. The double dip is proved to arise from charge transfer between the graphene and the metal electrodes, while charge storage at the graphene/SiO 2 interface can make it more evident. Considering a different Fermi energy from the neutrality point along the channel and partial charge pinning at the contacts, we propose a model which explains all the features observed in the gate voltage loops. We finally show that the double dip enhanced hysteresis in the transfer characteristics can be exploited to realize graphene-based memory devices.

Coupled quantum treatment of vibrationally inelastic and vibronic charge transfer in proton-O2 collisions

International Nuclear Information System (INIS)

Gianturco, F.A.; Palma, A.; Semprini, E.; Stefani, F.; Baer, M.

1990-01-01

A three-dimensional quantum-mechanical study of vibrational, state-resolved differential cross sections (DCS) for the direct inelastic and for the charge-transfer scattering channels has been carried out for the H + +O 2 system. The collision energy considered was E c.m. =23.0 eV, which is the same as that examined by Noll and Toennies in their experiments [J. Chem. Phys. 85, 3313 (1986)]. The scattering treatment employed was the charge-transfer infinite-order sudden approximation (CT IOSA) with the vibrational states correctly expanded over the relevant adiabatic basis for each of the two electronic channels. The state-to-state DCS are found to follow closely the behavior of the experimental quantities, both in the inelastic and the charge-transfer channels. Moreover, a careful comparison between the measured relative probabilities and computed values allows us to test in minute detail the efficiency of the scattering model and the reliability of the potential-energy surfaces employed. It is found that vibrational energy transfer is overestimated in the vibrational inelastic channels while in the charge-transfer inelastic channels the same energy transfer is slightly underestimated by the calculations. The total flux distribution, however, is found to be in very good accord with experiments. Angular distributions are also well reproduced both by the DCS and by the average energy-transfer values. The study of some of the CT IOSA quantities also allows us to establish clearly the importance of nonadiabatic transitions in enhancing vibrational inelasticity in the present system

Discontinuous Galerkin finite element methods for radiative transfer in spherical symmetry

Science.gov (United States)

Kitzmann, D.; Bolte, J.; Patzer, A. B. C.

2016-11-01

The discontinuous Galerkin finite element method (DG-FEM) is successfully applied to treat a broad variety of transport problems numerically. In this work, we use the full capacity of the DG-FEM to solve the radiative transfer equation in spherical symmetry. We present a discontinuous Galerkin method to directly solve the spherically symmetric radiative transfer equation as a two-dimensional problem. The transport equation in spherical atmospheres is more complicated than in the plane-parallel case owing to the appearance of an additional derivative with respect to the polar angle. The DG-FEM formalism allows for the exact integration of arbitrarily complex scattering phase functions, independent of the angular mesh resolution. We show that the discontinuous Galerkin method is able to describe accurately the radiative transfer in extended atmospheres and to capture discontinuities or complex scattering behaviour which might be present in the solution of certain radiative transfer tasks and can, therefore, cause severe numerical problems for other radiative transfer solution methods.

Radiative transfer in molecular lines

Science.gov (United States)

Asensio Ramos, A.; Trujillo Bueno, J.; Cernicharo, J.

2001-07-01

The highly convergent iterative methods developed by Trujillo Bueno and Fabiani Bendicho (1995) for radiative transfer (RT) applications are generalized to spherical symmetry with velocity fields. These RT methods are based on Jacobi, Gauss-Seidel (GS), and SOR iteration and they form the basis of a new NLTE multilevel transfer code for atomic and molecular lines. The benchmark tests carried out so far are presented and discussed. The main aim is to develop a number of powerful RT tools for the theoretical interpretation of molecular spectra.

Classical/quantum correspondence in state selective charge transfer and excitation reactions involving highly charged ions and hydrogen

International Nuclear Information System (INIS)

Purkait, M

2009-01-01

State selective charge transfer and excitation cross sections for collisions of Ne q+ (q = 1-10) with atomic hydrogen are calculated within the framework of Classical Trajectory Monte Carlo (CTMC) method and Boundary Corrected Continuum Intermediate State (BCCIS) approximation.

A schematic model for energy and charge transfer in the chlorophyll complex

DEFF Research Database (Denmark)

Bohr, Henrik; Malik, F.B.

2011-01-01

A theory for simultaneous charge and energy transfer in the carotenoid-chlorophyll-a complex is presented here and discussed. The observed charge transfer process in these chloroplast complexes is reasonably explained in terms of this theory. In addition, the process leads to a mechanism to drive...... an electron in a lower to a higher-energy state, thus providing a mechanism for the ejection of the electron to a nearby molecule (chlorophyll) or into the environment. The observed lifetimes of the electronically excited states are in accord/agreement with the investigations of Sundström et al....... and are in the range of pico-seconds and less. The change in electronic charge distribution in internuclear space as the system undergoes an electronic transition to a higher-energy state could, under appropriate physical conditions, lead to oscillating dipoles capable of transmitting energy from the carotenoid-chlorophylls...

Temperature dependence of positronium reactivities with charge transfer molecules in bilayer membranes

International Nuclear Information System (INIS)

Jean, Y.C.; Yu, C.; Wang, Y.Y.; Yeh, Y.Y.

1984-01-01

Rate constants for positronium atoms reacting chemically with charge-transfer molecules such as p-benzoquinone, nitrobenzene, and coenzyme Q-10 in a model bilayer membrane, dipalmitoylphosphatidylcholine (DPPC), have been measured at temperatures between 23 and 65 0 C. A strong variation of the positronium chemical reactivities, k/sub Ps/ was observed in these systems: k/sub Ps/ increases with increasing temperature until the pretransition temperature of the membrane reaches a maximum value near the main transition temperature and decreases at temperatures higher than the main transition temperature. This variation is interpreted in terms of fluidity and permeability changes associated with the phase transitions of membranes and in terms of charge-transfer-complex formation between the solubilized molecules and the polar head of the membrane. These results demonstrate that positronium and its annihilation characteristics can be employed to investigate charge transport phenomena and microstructural changes of real biological membranes

Three-dimensional transfer of solar radiation in clouds

International Nuclear Information System (INIS)

Davies, R.

1976-01-01

The results of a theoretical study of the effects of cloud geometry on the transfer of incident solar radiation is presented. These results indicate that a three-dimensional description of cloud geometry is a necessary prerequisite to the accurate determination of the emerging radiation field. Models which make the plane parallel assumption are therefore frequently inadequate. Both a Monte Carlo method and an analytic method were used to model the three-dimensional transfer of radiation. At the expense of considerable computation time the Monte Carlo model provides accurate values of the fluxes and intensities (averages over π/30 steradians) emerging from clouds which can be described as a set of connected cuboidal cells, each cell being homogeneous with respect to extinction coefficient, single scatter albedo and phase function. The analytic model, based on an extension of Eddington's approximation to three dimensions and to anisotropic scattering, is efficient to use, but is restricted to clouds made up of a single cuboidal cell and is more accurate for large clouds than small ones. By an iterated approach, involving integration of the source function along line of sight, the analytic model provides both fluxes and intensities of the emerging radiation at any specified point on the cloud's surface. These models were both applied to a systematic study of the transfer of solar radiation in isolated cuboidal clouds of arbitraty dimensions, the results of which illustrate the importance of considering the total cloud geometry in any attempt at realistic modelling. A study of the transfer of radiation in stratiform clouds with turretted top surfaces also indicated that even for these clouds the plane parallel assumption was often not tenable

Evaluation of intramolecular charge transfer state of 4-N, N ...

Indian Academy of Sciences (India)

Abstract. Intramolecular charge transfer of 4-N,N-dimethylamino cinnamaldehyde (DMACA) in vacuum and in five different aprotic solvents has been studied by using time-dependent density functional theory. (TDDFT). Polarizable continuum model (PCM) was employed to consider solvent–solute interactions. The potential ...

Low energy cross section data for ion-molecule reactions in hydrogen systems and for charge transfer of multiply charged ions with atoms and molecules

International Nuclear Information System (INIS)

Okuno, Kazuhiko

2007-04-01

Systematic cross section measurements for ion-molecule reactions in hydrogen systems and for charge transfer of multiply charged ions in low energy collisions with atoms and molecules have been performed continuously by the identical apparatus installed with an octo-pole ion beam guide (OPIG) since 1980 till 2004. Recently, all of accumulated cross section data for a hundred collision systems has been entered into CMOL and CHART of the NIFS atomic and molecular numerical database together with some related cross section data. In this present paper, complicated ion-molecule reactions in hydrogen systems are revealed and the brief outlines of specific properties in low energy charge transfer collisions of multiply charged ions with atoms and molecules are introduced. (author)

Tuning electronic properties of graphene nanoflake polyaromatic hydrocarbon through molecular charge-transfer interactions

Science.gov (United States)

Sharma, Vaishali; Dabhi, Shweta D.; Shinde, Satyam; Jha, Prafulla K.

2018-05-01

By means of first principles calculation we have tuned the electronic properties of graphene nanoflake polyaromatic hydrocarbon via molecular charge transfer. Acceptor/donor Tetracyanoquinodimethane (TCNQ) and Tetrathiafulvalene (TTF) organic molecules are adsorbed on polyaromatic hydrocarbons (PAH) in order to introduce the charge transfer. The substrate's n- or p- type nature depends on the accepting/donating behavior of dopant molecules. Two different classes of PAH (extended form of triangulene) namely Bow-tie graphene nanoflake (BTGNF) and triangular zigzag graphene nanoflake (TZGNF). It is revealed that all the TCNQ and TTF modified graphene nanoflakes exhibit significant changes in HOMO-LUMO gap in range from 0.58 eV to 0.64 eV and 0.01 eV to 0.05 eV respectively. The adsorption energies are in the range of -0.05 kcal/mol to -2.6 kcal/mol. The change in work function is also calculated and discussed, the maximum charge transfer is for TCNQ adsorbed BTGNF. These alluring findings in the tuning of electronic properties will be advantageous for promoting graphene nanoflake polyaromatic hydrocarbon for their applications in electronic devices.

Simulation of solar radiative transfer in cumulus clouds

Energy Technology Data Exchange (ETDEWEB)

Zuev, V.E.; Titov, G.A. [Institute of Atmospheric Optics, Tomsk (Russian Federation)

1996-04-01

This work presents a 3-D model of radiative transfer which is used to study the relationship between the spatial distribution of cumulus clouds and fluxes (albedo and transmittance) of visible solar radiation.

Radiative heat transfer by the Monte Carlo method

CERN Document Server

Hartnett †, James P; Cho, Young I; Greene, George A; Taniguchi, Hiroshi; Yang, Wen-Jei; Kudo, Kazuhiko

1995-01-01

This book presents the basic principles and applications of radiative heat transfer used in energy, space, and geo-environmental engineering, and can serve as a reference book for engineers and scientists in researchand development. A PC disk containing software for numerical analyses by the Monte Carlo method is included to provide hands-on practice in analyzing actual radiative heat transfer problems.Advances in Heat Transfer is designed to fill the information gap between regularly scheduled journals and university level textbooks by providing in-depth review articles over a broader scope than journals or texts usually allow.Key Features* Offers solution methods for integro-differential formulation to help avoid difficulties* Includes a computer disk for numerical analyses by PC* Discusses energy absorption by gas and scattering effects by particles* Treats non-gray radiative gases* Provides example problems for direct applications in energy, space, and geo-environmental engineering

Argon-ion charge distributions following near-threshold ionization

International Nuclear Information System (INIS)

Levin, J.C.

1990-01-01

When an atom is photoionized in an inner shell, there are two mechanisms by which the remaining electron cortege relaxes to fill the vacancy: x-ray emission and radiationless Auger and Coster-Kronig transitions. In the former, the inner-shell hole moves to a less tightly bound orbital without increasing the number of atomic vacancies. In Auger processes, however, the energy liberated by transfer of a less-tightly-bound electron to the inner-shell vacancy is transferred to another electron which is ejected into the continuum. In this case, the charge on the residual ion increases by one. Through a series of radiative and non-radiative processes, the initial vacancy bubbles up until all vacancies arrive at the outermost shell. Due to the many possible routes by which this may occur, there can be a broad distribution of residual ion charge states characteristic of the decay of a single inner-shell vacancy. Because so many processes can contribute to each charge state, it is difficult to determine the effect of each by examining the total ion charge distribution; the total-ion charge distribution represents an average over many effects. To overcome this limitation, the author has recently measured argon-ion production as a function of both photon energy and Auger decay channel following photoionization of K-shell electrons with highly monochromatic synchrotron radiation. When measured differential in decay channel, the ion charge distributions are greatly simplified. Analysis, in progress, of these simplified distributions will permit extraction of information about relative decay rates and shakeoff effects that is obscured in the single spectra

Hydrogen-transfer and charge transfer in photochemical and high energy radiation induced reactions: effects of thiols. Final report, February 1, 1960-january 31, 1979

International Nuclear Information System (INIS)

Cohen, S.G.

1980-03-01

Absorption of ultraviolet or visible light, or high energy radiation, may lead to highly reactive free radicals. Thiols affect the reactions of these radicals in the following ways: (1) transfer of hydrogen from sulfur of the thiol to a substrate radical, converting the radical to a stable molecule, and the thiol to a reactive thiyl radical; and (2) transfer of hydrogen from a substrate radical or molecule to thiyl, regenerating thiol. The thiol is thus used repeatedly and a single molecule may affect the consequences of many quanta. Three effects may ensue, depending upon the system irradiated: (1) the substrate radicals may be converted by thiol-thiyl to the original molecules, and protection against radiation damage is afforded. (2) The radicals may be converted to molecules not identical with the starting materials, and in both cases damage caused by radical combination processes is prevented. (3) Product yields may be increased where the initial radicals might otherwise regenerate starting materials. It was shown that rates of reaction of excited species can be correlated with triplet energies and reduction potentials, and with ionization potentials, that amines are very reactive toward excited carbonyl compounds of all types, and that yields of products from these reactions can be increased by thiols, leading to increased efficiency in utilization of light

Radiation effects on heat transfer in heat exchangers, (2)

International Nuclear Information System (INIS)

Mori, Yasuo; Watanabe, Kenji; Taira, Tatsuji.

1980-01-01

In a high temperature gas-cooled reactor system, in which the working fluid exchanges heat at high temperature near 1000 deg C, the heat transfer acceleration by positively utilizing the radiation heat transfer between solid surfaces should be considered. This paper reports on the results of experiment and analysis for the effects of radiant heat on the heat transfer performance at elevated temperature by applying the heat transfer-accelerating method using radiators to the heat exchanger with tube bundle composed of two channels of heating and heated sides. As the test heat exchangers, a parallel counter flow exchanger and the cross flow exchanger simulating helical tubes were employed, and the results studied on the characteristics of each heat exchanger are described. The plates placed in parallel to flow in every space of the tube bundle arranged in a matrix were used as the heat transfer accelerator. The effects of acceleration with the plates were the increase of heat transmission from 12 to 24% and 12 to 38% in the parallel flow and cross flow heat exchangers, respectively. Also, it was clarified that the theoretical analysis, in which it was assumed that the region within pitch S and two radiator plates, with a heat-transferring tube placed at the center, is the minimum domain for calculation, and that the heat exchange by radiation occurs only between the domain and the adjacent domains, can estimate the heat transfer-accelerating effect and the temperature distribution in a heat exchanger with sufficient accuracy. (Wakatsuki, Y.)

Heat transfer in Rockwool modelling and method of measurement. Modelling radiative heat transfer in fibrous materials

Energy Technology Data Exchange (ETDEWEB)

Dyrboel, Susanne

1998-05-01

Fibrous materials are some of the most widely used materials for thermal insulation. In this project the focus of interest has been on fibrous materials for building application. Interest in improving the thermal properties of insulation materials is increasing as legislation is being tightened to reduce the overall energy consumption. A knowledge of the individual heat transfer mechanisms - whereby heat is transferred within a particular material is an essential tool to improve continuously the thermal properties of the material. Heat is transferred in fibrous materials by four different transfer mechanisms: conduction through air, conduction through fibres, thermal radiation and convection. In a particular temperature range the conduction through air can be regarded as a constant, and conduction through fibres is an insignificant part of the total heat transfer. Radiation, however, constitutes 25-40% of the total heat transfer in light fibrous materials. In Denmark and a number of other countries convection in fibrous materials is considered as non-existent when calculating heat transmission as well as when designing building structures. Two heat transfer mechanisms have been the focus of the current project: radiation heat transfer and convection. The radiation analysis serves to develop a model that can be used in further work to gain a wider knowledge of the way in which the morphology of the fibrous material, i.e. fibre diameter distribution, fibre orientation distribution etc., influences the radiation heat transfer under different conditions. The convection investigation serves to examine whether considering convection as non-existent is a fair assumption to use in present and future building structures. The assumption applied in practically is that convection makes a notable difference only in very thick insulation, at external temperatures below -20 deg. C, and at very low densities. For lager thickness dimensions the resulting heat transfer through the

Turn-on fluorescence probes based on pyranine/viologen charge-transfer complexes for the determination of nucleotides

Energy Technology Data Exchange (ETDEWEB)

Schäferling, Michael, E-mail: Michael.schaeferling@utu.fi; Lang, Thomas; Schnettelker, Annette

2014-10-15

The formation of ground state charge-transfer complexes between pyranine (8-hydroxypyrene-1,3,6-trisulfonic acid) and viologen (paraquat) derivatives is utilized for the design of novel fluoroionophores for the determination of phosphate species, particularly of nucleotides. The strong quenching of the pyranine fluorescence by viologen-type charge transfer acceptors can be countermanded if these are functionalized with triethylammonium groups that serve as recognition elements for phosphate anions. We report on the fluorogenic responses of these water-soluble molecular probes in presence of different phosphates. Absorbance measurements give additional information on the charge transfer complex formation and the interaction with nucleotides. The experimental data show that these aggregates form attractive, simple and versatile fluorescence turn-on probes for nucleoside triphosphates. The reversibility of the fluorescence response is demonstrated by means of an enzymatic model assay using ATPase for the decomposition of adenosine triphosphate. - Highlights: • Pyranine/viologen charge-transfer complexes as molecular probe for ATP recognition. • Fluorescence turn on mechanism. • Selective compared to other nucleotides and phosphate anions. • Fast and reversible response applicable to monitor enzymatic reactions.

Evolution of Xe spectrum and ion charge under sudden incoming radiation

Science.gov (United States)

Klapisch, Marcel; Busquet, Michel

2012-06-01

Experiments [1] and simulations of Xe at high temperature were recently reported, due to the possible scaling of astrophysical radiative shocks [2]. We used the newest version of HULLAC [3] to compute energy levels, radiative and collisional transition rates and level populations in a Coronal Radiative Model for the ions Xe9+ to Xe44+ (36263 configurations), at electron temperature of 100 eV and electron density of 10^19 -- 10^21 e/cm^3, in the presence of an external Planckian radiation field. Static and time dependent influence of the radiation on ion charge and spectrum is described. We show an effect of shell structure on relaxation of ion charge when the radiation field is suddenly turn on.[4pt] [1] Busquet, M., Thais, F., Gonzalez, M., et al., J. App. Phys. 107, 083302 (2010).[0pt] [2] Ryutov, D., Drake, R. P., Kane, J., et al., Astrophys. J. 518, 821 (1999).[0pt] [3] Klapisch, M. and Busquet, M., High Ener. Dens. Phys. 7, 98 (2011).

Study of charge transfer reactions in a microbial fuel cell

Energy Technology Data Exchange (ETDEWEB)

Martin, E.; Savadogo, O. [Ecole Polytechnique, Montreal, PQ (Canada). Dept. de Genie Chimique; National Research Council of Canada, Montreal, PQ (Canada). Biotechnology Research Inst.; Tartakovsky, B. [National Research Council of Canada, Montreal, PQ (Canada). Biotechnology Research Inst.

2008-07-01

Electron transfer reactions in a microbial fuel cell (MFC) were evaluated. The MFC was inoculated with anaerobic mesophilic sludge and operated with carbon felt, carbon cloth, and platinum (Pt) coated carbon cloth. The MFC was then fed with either acetate or glucose as a source of fuel and operated at a temperature of 25 degrees C and a pH of 7. Scanning electron microscopy (SEM) micrographs demonstrated that the micro-organisms colonized the anodes. Cyclic voltammetry and polarization tests were conducted using different fractions of the anodophilic biofilm in order to determine charge transfer routes. The study characterized the electron transfer mechanisms used by the exoelectrogenic micro-organisms to produce electricity. It was concluded that further research is needed to characterize reaction transfer routes. 2 refs., 1 fig.

Layer-dependent surface potential of phosphorene and anisotropic/layer-dependent charge transfer in phosphorene-gold hybrid systems.

Science.gov (United States)

Xu, Renjing; Yang, Jiong; Zhu, Yi; Yan, Han; Pei, Jiajie; Myint, Ye Win; Zhang, Shuang; Lu, Yuerui

2016-01-07

The surface potential and the efficiency of interfacial charge transfer are extremely important for designing future semiconductor devices based on the emerging two-dimensional (2D) phosphorene. Here, we directly measured the strong layer-dependent surface potential of mono- and few-layered phosphorene on gold, which is consistent with the reported theoretical prediction. At the same time, we used an optical way photoluminescence (PL) spectroscopy to probe charge transfer in the phosphorene-gold hybrid system. We firstly observed highly anisotropic and layer-dependent PL quenching in the phosphorene-gold hybrid system, which is attributed to the highly anisotropic/layer-dependent interfacial charge transfer.

CoPc and CoPcF16 on gold: Site-specific charge-transfer processes

Directory of Open Access Journals (Sweden)

Fotini Petraki

2014-04-01

Full Text Available Interface properties of cobalt(II phthalocyanine (CoPc and cobalt(II hexadecafluoro-phthalocyanine (CoPcF16 to gold are investigated by photo-excited electron spectroscopies (X-ray photoemission spectroscopy (XPS, ultraviolet photoemission spectroscopy (UPS and X-ray excited Auger electron spectroscopy (XAES. It is shown that a bidirectional charge transfer determines the interface energetics for CoPc and CoPcF16 on Au. Combined XPS and XAES measurements allow for the separation of chemical shifts based on different local charges at the considered atom caused by polarization effects. This facilitates a detailed discussion of energetic shifts of core level spectra. The data allow the discussion of site-specific charge-transfer processes.

Identification of the Heat Transfer Coefficient at the Charge Surface Heated on the Chamber Furnace

Directory of Open Access Journals (Sweden)

Gołdasz A.

2017-06-01

Full Text Available The inverse method was applied to determine the heat flux reaching the charge surface. The inverse solution was based upon finding the minimum of the error norm between the measured and calculated temperatures. The charge temperature field was calculated with the finite element method by solving the heat transfer equation for a square charge made of 15HM steel heated on all its surfaces. On the basis of the mean value of heat flux, the value of the heat transfer coefficient at each surface was determined depending on the surface temperature of the material heated.

Radiation heat transfer within an open-cycle MHD generator channel

Science.gov (United States)

Delil, A. A. M.

1983-05-01

Radiation heat transfer in an MHD generator was modeled using the Sparrow and Cess model for radiation in an emitting, absorbing and scattering medium. The resulting general equations can be considerably reduced by introducing simplifying approximations for the channel and MHD gas properties. The simplifications lead to an engineering model, which is very useful for one-dimensional channel flow approximation. The model can estimate thermo-optical MHD gas properties, which can be substituted in the energy equation. The model considers the contribution of solid particles in the MHD gas to radiation heat transfer, considerable in coal-fired closed cycle MHD generators. The modeling is applicable also for other types of flow at elevated temperatures, where radiation heat transfer is an important quantity.

Radiative transfer through terrestrial atmosphere and ocean: Software package SCIATRAN

International Nuclear Information System (INIS)

Rozanov, V.V.; Rozanov, A.V.; Kokhanovsky, A.A.; Burrows, J.P.

2014-01-01

SCIATRAN is a comprehensive software package for the modeling of radiative transfer processes in the terrestrial atmosphere and ocean in the spectral range from the ultraviolet to the thermal infrared (0.18–40μm) including multiple scattering processes, polarization, thermal emission and ocean–atmosphere coupling. The software is capable of modeling spectral and angular distributions of the intensity or the Stokes vector of the transmitted, scattered, reflected, and emitted radiation assuming either a plane-parallel or a spherical atmosphere. Simulations are done either in the scalar or in the vector mode (i.e. accounting for the polarization) for observations by space-, air-, ship- and balloon-borne, ground-based, and underwater instruments in various viewing geometries (nadir, off-nadir, limb, occultation, zenith-sky, off-axis). All significant radiative transfer processes are accounted for. These are, e.g. the Rayleigh scattering, scattering by aerosol and cloud particles, absorption by gaseous components, and bidirectional reflection by an underlying surface including Fresnel reflection from a flat or roughened ocean surface. The software package contains several radiative transfer solvers including finite difference and discrete-ordinate techniques, an extensive database, and a specific module for solving inverse problems. In contrast to many other radiative transfer codes, SCIATRAN incorporates an efficient approach to calculate the so-called Jacobians, i.e. derivatives of the intensity with respect to various atmospheric and surface parameters. In this paper we discuss numerical methods used in SCIATRAN to solve the scalar and vector radiative transfer equation, describe databases of atmospheric, oceanic, and surface parameters incorporated in SCIATRAN, and demonstrate how to solve some selected radiative transfer problems using the SCIATRAN package. During the last decades, a lot of studies have been published demonstrating that SCIATRAN is a valuable

129I Moessbauer spectroscopic study of several n-σ charge-transfer complexes of iodine with thioethers

International Nuclear Information System (INIS)

Sakai, Hiroshi; Matsuyama, Tomochika; Maeda, Yutaka

1986-01-01

129 I Moessbauer studies have been made of n-σ charge-transfer complexes of iodine with thioethers, such as thiane, 1,4-oxathiane, and 1,4-dithiane. The spectra of these complexes consist of two sets of quadrupole octets, corresponding to the bridging and terminal iodine atoms. The transferred charges from the thioethers are localized on the terminal iodine atoms, and the bridging iodine atoms have slightly positive charges. This result can be well explained in terms of a covalent bond between the sulfur and bridging iodine atoms or the MO treatment of a delocalized three-center four-electron bonding. The contributions of the dative structure to the ground state are estimated to be 36, 28, and 24 % for thiane-iodine, 1,4-oxathiane-iodine, and 1,4-dithiane-iodine respectively. The nature of the charge-transfer bond is discussed in comparison with amine-iodine complexes. (author)

Radiation heat transfer model for the SCDAP code

International Nuclear Information System (INIS)

Sohal, M.S.

1984-01-01

A radiation heat transfer model has been developed for severe fuel damage analysis which accounts for anisotropic effects of reflected radiation. The model simplifies the view factor calculation which results in significant savings in computational cost with little loss of accuracy. Radiation heat transfer rates calculated by the isotropic and anisotropic models compare reasonably well with those calculated by other models. The model is applied to an experimental nuclear rod bundle during a slow boiloff of the coolant liquid, a situation encountered during a loss of coolant accident with severe fuel damage. At lower temperatures and also lower temperature gradients in the core, the anisotropic effect was not found to be significant

Super-radiant Smith–Purcell radiation from periodic line charges

International Nuclear Information System (INIS)

Li, D.; Hangyo, M.; Tsunawaki, Y.; Yang, Z.; Wei, Y.; Miyamoto, S; Asakawa, M.R.; Imasaki, K.

2012-01-01

Smith–Purcell radiation occurs when an electron passes close to the surface of a metallic grating. The radiation becomes coherent when the length of the electron bunch is smaller than the wavelength of the radiation. A train of periodic bunches can enhance the spectral intensity by changing the angular and spectral distribution of the radiation. This is called super-radiant Smith–Purcell radiation, and has been observed in experiments and particle-in-cell simulations. In this paper, we introduce a new method to study this effect by calculating the reflected waves of an incident evanescent wave from periodic line charges. The reflection coefficients are numerically computed, and the spectral distributions of the super-radiant radiation are demonstrated. These analytical results are in agreement with those obtained through part-in-cell simulations.

Charge-transfer potentials for ionic crystals: Cauchy violation, LO-TO splitting, and the necessity of an ionic reference state.

Science.gov (United States)

Sukhomlinov, Sergey V; Müser, Martin H

2015-12-14

In this work, we study how including charge transfer into force fields affects the predicted elastic and vibrational Γ-point properties of ionic crystals, in particular those of rock salt. In both analytical and numerical calculations, we find that charge transfer generally leads to a negative contribution to the Cauchy pressure, P(C) ≡ C12 - C66, where C12 and C66 are elements of the elastic tensor. This contribution increases in magnitude with pressure for different charge-transfer approaches in agreement with results obtained with density functional theory (DFT). However, details of the charge-transfer models determine the pressure dependence of the longitudinal optical-transverse optical splitting and that for partial charges. These last two quantities increase with density as long as the chemical hardness depends at most weakly on the environment while experiments and DFT find a decrease. In order to reflect the correct trends, the charge-transfer expansion has to be made around ions and the chemical (bond) hardness has to increase roughly exponentially with inverse density or bond lengths. Finally, the adjustable force-field parameters only turn out meaningful, when the expansion is made around ions.

Frenkel and Charge-Transfer Excitations in Donor-acceptor Complexes from Many-Body Green's Functions Theory.

Science.gov (United States)

Baumeier, Björn; Andrienko, Denis; Rohlfing, Michael

2012-08-14

Excited states of donor-acceptor dimers are studied using many-body Green's functions theory within the GW approximation and the Bethe-Salpeter equation. For a series of prototypical small-molecule based pairs, this method predicts energies of local Frenkel and intermolecular charge-transfer excitations with the accuracy of tens of meV. Application to larger systems is possible and allowed us to analyze energy levels and binding energies of excitons in representative dimers of dicyanovinyl-substituted quarterthiophene and fullerene, a donor-acceptor pair used in state of the art organic solar cells. In these dimers, the transition from Frenkel to charge transfer excitons is endothermic and the binding energy of charge transfer excitons is still of the order of 1.5-2 eV. Hence, even such an accurate dimer-based description does not yield internal energetics favorable for the generation of free charges either by thermal energy or an external electric field. These results confirm that, for qualitative predictions of solar cell functionality, accounting for the explicit molecular environment is as important as the accurate knowledge of internal dimer energies.

Features of destruction of solids by laser radiation in process of formation of multiply charged ions

International Nuclear Information System (INIS)

Bedilov, R.M.; Bedilov, M.R.; Sabitov, M.M.; Matnazarov, A.; Niyozov, B.

2004-01-01

Full text: It is known, under interaction of laser radiation with solid surface a power density q > 0.01 W/cm 2 are observed destruction of a solid and issue of electrons, ions, neutrals, neutrons, plasmas, and also radiation in a wide ranges of a spectra. Despite of a plenty of works, devoted to study of processes of interaction, the studies of feature of destruction of solids by laser beam in process of formation multiply charged ions are insufficiently investigated. The results of study feature of destruction of solids by laser radiation in process of formation multiply charged ions are given in this work. In our experiments, we used the mass spectrometer with single-channel laser radiation. The laser installation had the following parameters: a power density of laser radiation q=(0.1-50) GW/cm 2 ; the angle of incidence a=18 deg. to the target surface Al, (W). It was obtained experimentally dynamics of morphology of destruction and also mass - charge and energy spectra of multiply charged ions formed under interaction of laser radiation with Al (W) in the intensity range q=(0.1-50) GW/cm 2 . These studies showed features of destruction Al(W) by laser radiation, i.e. invariable of value evaporation mass from a surface of a solid increase as the laser intensity q. But thus temperature a pair increases in accordance with increase of flow density of a laser radiation. Increase of temperature the pair gives in formation of multiply charged plasma. It is typical that, as q of the laser increases the maximum charge number of ions in laser plasma considerably increase and their energy spectra extend toward higher energies. For example, under q=0.1 GW/cm 2 and 50 GW/cm 2 the maximum charge number of ions Al (W) are equal to Z max = 1 and 7, respectively. From the experimental data obtained, we can conclude that, the formed multiply charged plasma practically completely absorption laser radiation and 'shielding' a target surface for various metals at power densities

Near-field radiative heat transfer between clusters of dielectric nanoparticles

International Nuclear Information System (INIS)

Dong, J.; Zhao, J.M.; Liu, L.H.

2017-01-01

In this work, we explore the near-field radiative heat transfer between two clusters of silicon carbide (SiC) nanoparticles using the many-body radiative heat transfer theory. The effects of fractal dimension of clusters, many-body interaction between nanoparticles and relative orientation of clusters on the thermal conductance are studied. Meanwhile, the applicability of the equivalent volume spheres (EVS) approximation for near-field radiative heat transfer between clusters is examined. It is observed that the thermal conductance is larger for clusters with larger fractal dimension, which is more significant in the near-field. The thermal conductance of EVS resembles that of the clusters, but EVS overestimates the conductance of clusters, especially in the near-field. Compared to the case of two nanoparticles, the conductance of nanoparticle clusters decays much slower with increasing distance in the near-field, but shares similar dependence on the distance in the far-field. The thermal conductance of SiC nanoparticle clusters is inhibited by the many-body interaction when surface phonon polariton is supported but enhanced at frequencies close to the resonance frequency. The total thermal conductance is decreased due to many-body interaction among particles in the cluster. The relative orientation between the clusters is also an important factor in the near-field, especially for clusters with lower fractal dimension. - Highlights: • Near-field radiative heat transfer between clusters of nanoparticles is studied. • The many-body radiative heat transfer theory is applied for rigorous analysis. • The accuracy of equivalent volume spheres approximation is examined. • Clusters with larger fractal dimension have larger radiative thermal conductance. • Many-body interaction inhibits the total radiative thermal conductance.

Charge Transfer Based Colorimetric Detection of Silver Ion

Energy Technology Data Exchange (ETDEWEB)

Han, Seung Choul; Kim, Kwang Seob; Choi, Soon Kyu; Oh, Jinho; Lee, Jae Wook [Dong-A Univ., Busan (Korea, Republic of)

2014-05-15

We have demonstrated the colorimetric chemosensor for detection of Ag{sup +} via formation of nanoparticles which is based on the intramolecular CT interaction between the electron-rich (2,6-dialkoxynaphthalene; Np) moiety and the electron-deficient (methyl viologen; MV{sup 2+}) moiety of a single sensor molecule. Under irradiation of light, Ag{sup +} was reduced to very small silver nanoparticle by CT interaction in the presence of OEGs as flexible recognition moiety of Ag{sup +} and stabilizer for Ag nanoparticles, thus Ag nanoparticles resulted to reddish brown in the color change of sensor solution, gradually. Therefore, the charge-transfer interaction between an electron-deficient and an electron-rich units existing at a sensor molecule can be regarded as a new and efficient method to construct various colorimetric chemosensors. Donor.acceptor interactions or charge transfer (CT) interactions are an important class of non-covalent interactions and have been widely exploited in self-assembling systems. Beyond molecular chemistry, supramolecular chemistry aims at constituting highly complex, functional chemical systems from components held together by intermolecular forces. Chemosensors are the molecules of abiotic origin that bind selectively and reversibly with the analyte with concomitant change in one or more properties of the system. The recognition and signaling of ionic and neutral species of varying complexity is one of the most intensively studied areas of contemporary supramolecular chemistry.

Mechanism and Dynamics of Charge Transfer in Donor-Bridge-Acceptor Systems

NARCIS (Netherlands)

Gorczak-Vos, N.

2016-01-01

Photoinduced charge transfer in organic materials is a fundamental process in various biological and technological areas. Donor-bridge-acceptor (DBA) molecules are used as model systems in numerous theoretical and experimental work to systematically study and unravel the underlying mechanisms of

Charge transfer between hydrogen(deuterium) ions and atoms in metal vapors

International Nuclear Information System (INIS)

Alvarez T, I.; Cisneros G, C.

1981-01-01

The current state of the experiments on charge transfer between hydrogen (deuterium) ions and atoms in metal vapors are given. Emphasis is given to describing different experimental techniques. The results of calculations if available, are compared with existing experimental data. (author)

Maximal near-field radiative heat transfer between two plates

OpenAIRE

Nefzaoui, Elyes; Ezzahri, Younès; Drevillon, Jérémie; Joulain, Karl

2013-01-01

International audience; Near-field radiative transfer is a promising way to significantly and simultaneously enhance both thermo-photovoltaic (TPV) devices power densities and efficiencies. A parametric study of Drude and Lorentz models performances in maximizing near-field radiative heat transfer between two semi-infinite planes separated by nanometric distances at room temperature is presented in this paper. Optimal parameters of these models that provide optical properties maximizing the r...

ANISOTROPY EFFECTS IN SINGLE-ELECTRON TRANSFER BETWEEN LASER-EXCITED ATOMS AND HIGHLY-CHARGED IONS

NARCIS (Netherlands)

Recent collision experiments are reviewed in which one-electron transfer between laser excited target atoms and (highly charged) keV-ions has been studied. Especially results showing a dependence of the charge exchange on the initial target orbital alignment are discussed. The question to what

Superconductivity and charge transfer excitations in high Tc superconductors

International Nuclear Information System (INIS)

Balseiro, C.A.; Alascio, B.; Gagliano, E.; Rojo, A.

1988-01-01

We present some numerical results to show that in a simple model which includes Cu 3d and O 2p orbitals together with inter and intra atomic correlations pairing between holes can occur due to charge transfer excitations. We present also a simple approximation to derive an effective Hamiltonian containing an interaction between particles which is attractive for some values of the different microscopic parameters

Quantum information transfer between topological and conventional charge qubits

International Nuclear Information System (INIS)

Li Jun; Zou Yan

2016-01-01

We propose a scheme to realize coherent quantum information transfer between topological and conventional charge qubits. We first consider a hybrid system where a quantum dot (QD) is tunnel-coupled to a semiconductor Majorana-hosted nanowire (MNW) via using gated control as a switch, the information encoded in the superposition state of electron empty and occupied state can be transferred to each other through choosing the proper interaction time to make measurements. Then we consider another system including a double QDs and a pair of parallel MNWs, it is shown that the entanglement information transfer can be realized between the two kinds of systems. We also realize long distance quantum information transfer between two quantum dots separated by an MNW, by making use of the nonlocal fermionic level formed with the pared Majorana feimions (MFs) emerging at the two ends of the MNW. Furthermore, we analyze the teleportationlike electron transfer phenomenon predicted by Tewari et al. [Phys. Rev. Lett. 100, 027001 (2008)] in our considered system. Interestingly, we find that this phenomenon exactly corresponds to the case that the information encoded in one QD just returns back to its original place during the dynamical evolution of the combined system from the perspective of quantum state transfer. (paper)

SCIATRAN 3.1: A new radiative transfer model and retrieval package

Science.gov (United States)

Rozanov, Alexei; Rozanov, Vladimir; Kokhanovsky, Alexander; Burrows, John P.

The SCIATRAN 3.1 package is a result of further development of the SCIATRAN 2.X software family which, similar to previous versions, comprises a radiative transfer model and a retrieval block. After an implementation of the vector radiative transfer model in SCIATRAN 3.0 the spectral range covered by the model has been extended into the thermal infrared ranging to approximately 40 micrometers. Another major improvement has been done accounting for the underlying surface effects. Among others, a sophisticated representation of the water surface with a bidirectional reflection distribution function (BRDF) has been implemented accounting for the Fresnel reflection of the polarized light and for the effect of foam. A newly developed representation for a snow surface allows radiative transfer calculations to be performed within an unpolluted or soiled snow layer. Furthermore, a new approach has been implemented allowing radiative transfer calculations to be performed for a coupled atmosphere-ocean system. This means that, the underlying ocean is not considered as a purely reflecting surface any more. Instead, full radiative transfer calculations are performed within the water allowing the user to simulate the radiance within both the atmosphere and the ocean. Similar to previous versions, the simulations can be performed for any viewing geometry typi-cal for atmospheric observations in the UV-Vis-NIR-TIR spectral range (nadir, limb, off-axis, etc.) as well as for any observer location within or outside the Earth's atmosphere including underwater observations. Similar to the precursor version, the new model is freely available for non-commercial use via the web page of the University of Bremen. In this presentation a short description of the software package, especially of the new features of the radiative transfer model is given, including remarks on the availability for the scientific community. Furthermore, some application examples of the radiative transfer model are

Synthesis and photophysical properties of a novel terephthalic PH sensor based on internal charge transfer

International Nuclear Information System (INIS)

Miladinova, Polya M.

2016-01-01

A novel fluorescence sensing derivative of 2-aminodimethylterephthalate configured as a “fluorophore-receptor” system was synthesized and investigated. Due to the internal charge transfer, the designed fluorophore was able to act as a pH-probe via an “off-on” fluorescence sensing mechanism. The sensor activity toward protons as cations and hydroxide as anions in DMF was studied by monitoring the changes of the fluorescence intensity. Keywords: 2-aminoterephthalic derivative, ICT (internal charge transfer), pH sensor.

Utrecht Radiative Transfer Courses

Science.gov (United States)

Rutten, R. J.

2003-01-01

The Utrecht course ``The Generation and Transport of Radiation'' teaches basic radiative transfer to second-year students. It is a much-expanded version of the first chapter of Rybicki & Lightman's ``Radiative Processes in Astrophysics''. After this course, students understand why intensity is measured per steradian, have an Eddington-Barbier feel for optically thick line formation, and know that scattering upsets LTE. The text is a computer-aided translation by Ruth Peterson of my 1992 Dutch-language course. My aim is to rewrite this course in non-computer English and make it web-available at some time. In the meantime, copies of the Peterson translation are made yearly at Uppsala -- ask them, not me. Eventually it should become a textbook. The Utrecht course ``Radiative Transfer in Stellar Atmospheres'' is a 30-hour course for third-year students. It treats NLTE line formation in plane-parallel stellar atmospheres at a level intermediate between the books by Novotny and Boehm-Vitense, and Mihalas' ``Stellar Atmospheres''. After this course, students appreciate that epsilon is small, that radiation can heat or cool, and that computers have changed the field. This course is web-available since 1995 and is regularly improved -- but remains incomplete. Eventually it should become a textbook. The three Utrecht exercise sets ``Stellar Spectra A: Basic Line Formation'', ``Stellar Spectra B: LTE Line Formation'', and ``Stellar Spectra C: NLTE Line Formation'' are IDL-based computer exercises for first-year, second-year, and third-year students, respectively. They treat spectral classification, Saha-Boltzmann population statistics, the curve of growth, the FAL-C solar atmosphere model, the role of H-minus in the solar continuum, LTE formation of Fraunhofer lines, inversion tactics, the Feautrier method, classical lambda iteration, and ALI computation. The first two sets are web-available since 1998; the third will follow. Acknowledgement. Both courses owe much to previous

One-dimensional transient radiative transfer by lattice Boltzmann method.

Science.gov (United States)

Zhang, Yong; Yi, Hongliang; Tan, Heping

2013-10-21

The lattice Boltzmann method (LBM) is extended to solve transient radiative transfer in one-dimensional slab containing scattering media subjected to a collimated short laser irradiation. By using a fully implicit backward differencing scheme to discretize the transient term in the radiative transfer equation, a new type of lattice structure is devised. The accuracy and computational efficiency of this algorithm are examined firstly. Afterwards, effects of the medium properties such as the extinction coefficient, the scattering albedo and the anisotropy factor, and the shapes of laser pulse on time-resolved signals of transmittance and reflectance are investigated. Results of the present method are found to compare very well with the data from the literature. For an oblique incidence, the LBM results in this paper are compared with those by Monte Carlo method generated by ourselves. In addition, transient radiative transfer in a two-Layer inhomogeneous media subjected to a short square pulse irradiation is investigated. At last, the LBM is further extended to study the transient radiative transfer in homogeneous medium with a refractive index discontinuity irradiated by the short pulse laser. Several trends on the time-resolved signals different from those for refractive index of 1 (i.e. refractive-index-matched boundary) are observed and analysed.

Monte Carlo method for polarized radiative transfer in gradient-index media

International Nuclear Information System (INIS)

Zhao, J.M.; Tan, J.Y.; Liu, L.H.

2015-01-01

Light transfer in gradient-index media generally follows curved ray trajectories, which will cause light beam to converge or diverge during transfer and induce the rotation of polarization ellipse even when the medium is transparent. Furthermore, the combined process of scattering and transfer along curved ray path makes the problem more complex. In this paper, a Monte Carlo method is presented to simulate polarized radiative transfer in gradient-index media that only support planar ray trajectories. The ray equation is solved to the second order to address the effect induced by curved ray trajectories. Three types of test cases are presented to verify the performance of the method, which include transparent medium, Mie scattering medium with assumed gradient index distribution, and Rayleigh scattering with realistic atmosphere refractive index profile. It is demonstrated that the atmospheric refraction has significant effect for long distance polarized light transfer. - Highlights: • A Monte Carlo method for polarized radiative transfer in gradient index media. • Effect of curved ray paths on polarized radiative transfer is considered. • Importance of atmospheric refraction for polarized light transfer is demonstrated

Short and long term ionizing radiation effects on charge-coupled devices in radiation environment of high-intensity heavy ion accelerators

International Nuclear Information System (INIS)

Belousov, A; Mustafin, E; Ensinger, W

2012-01-01

Radiation effects on semiconductor devices is a topical issue for high-intensity accelerator projects. In particular it concerns Charge-Coupled Device (CCD) cameras, which are widely used for beam profile monitoring and surveillance in high radiation environment. One should have a clear idea of short and long term radiation effects on such devices. To study these effects, a CCD camera was placed in positions less than half meter away from beam loss point. Primary heavy ion beam of 0.95GeV/n Uranium was dumped into a thick aluminium target creating high fluences of secondary particles (e.g., gammas, neutrons, protons). Effects of these particles on CCD camera were scored with LabView based acquisition software. Monte Carlo calculations with FLUKA code were performed to obtain fluence distributions for different particles and make relevant comparisons. Long term total ionising dose effects are represented by dark current increase, which was scored throughout experiment. Instant radiation effects are represented by creation of charge in CCD cells by ionising particles. Relation of this charge to beam intensity was obtained for different camera positions and fluences within 5 orders of magnitude ranges. With high intensities this charge is so high that it may dramatically influence data obtained from CCD camera used in high radiation environment. The linearity of described above relation confirms linear response of CCD to ionizing radiation. It gives an opportunity to find a new application to CCD cameras as beam loss monitors (BLM).

Charge Transfer Effect on Raman and Surface Enhanced Raman Spectroscopy of Furfural Molecules.

Science.gov (United States)

Wan, Fu; Shi, Haiyang; Chen, Weigen; Gu, Zhaoliang; Du, Lingling; Wang, Pinyi; Wang, Jianxin; Huang, Yingzhou

2017-08-02

The detection of furfural in transformer oil through surface enhanced Raman spectroscopy (SERS) is one of the most promising online monitoring techniques in the process of transformer aging. In this work, the Raman of individual furfural molecules and SERS of furfural-M x (M = Ag, Au, Cu) complexes are investigated through density functional theory (DFT). In the Raman spectrum of individual furfural molecules, the vibration mode of each Raman peak is figured out, and the deviation from experimental data is analyzed by surface charge distribution. In the SERS of furfural-M x complexes, the influence of atom number and species on SERS chemical enhancement factors (EFs) are studied, and are further analyzed by charge transfer effect. Our studies strengthen the understanding of charge transfer effect in the SERS of furfural molecules, which is important in the online monitoring of the transformer aging process through SERS.

On the variably-charged black holes in general relativity: Hawking's radiation and naked singularities

International Nuclear Information System (INIS)

Ibohal, Ng

2002-01-01

In this paper variably-charged non-rotating Reissner-Nordstrom and rotating Kerr-Newman black holes are discussed. Such a variable charge e with respect to the polar coordinate r in the field equations is referred to as an electrical radiation of the black hole. It is shown that every electrical radiation e(r) of the non-rotating black hole leads to a reduction in its mass M by some quantity. If one considers such electrical radiation taking place continuously for a long time, then a continuous reduction of the mass may take place in the black-hole body and the original mass of the black hole may be evaporated completely. At that stage, the gravity of the object may depend only on the electromagnetic field, not on the mass. Immediately after the complete evaporation of the mass, if the next radiation continues, there may be creation of a new mass leading to the formation of a negative mass naked singularity. It appears that this new mass of the naked singularity would never decrease, but might increase gradually as the radiation continues forever. A similar investigation is also discussed in the case of a variably-charged rotating Kerr-Newman black hole. Thus, it has been shown by incorporating Hawking's evaporation of radiating black holes in the form of spacetime metrics, every electrical radiation of variably-charged rotating and non-rotating black holes may produce a change in the mass of the body without affecting the Maxwell scalar

Charge transfer to the continuum by heavy ions in atomic hydrogen

International Nuclear Information System (INIS)

Sellin, I.A.

1981-01-01

Design and installation of an atomic hydrogen target for measurements of charge transfer to the continuum by heavy ions are discussed. The design consists of a tungsten gas cell operated at temperatures of 2500 to 2600 0 K. Initial testing is underway

Formal Solutions for Polarized Radiative Transfer. III. Stiffness and Instability

Science.gov (United States)

Janett, Gioele; Paganini, Alberto

2018-04-01

Efficient numerical approximation of the polarized radiative transfer equation is challenging because this system of ordinary differential equations exhibits stiff behavior, which potentially results in numerical instability. This negatively impacts the accuracy of formal solvers, and small step-sizes are often necessary to retrieve physical solutions. This work presents stability analyses of formal solvers for the radiative transfer equation of polarized light, identifies instability issues, and suggests practical remedies. In particular, the assumptions and the limitations of the stability analysis of Runge–Kutta methods play a crucial role. On this basis, a suitable and pragmatic formal solver is outlined and tested. An insightful comparison to the scalar radiative transfer equation is also presented.

Effect of Conjugation Length on Photoinduced Charge-Transfer in π-Conjugated Oligomer-Acceptor Dyads

KAUST Repository

Jiang, Junlin

2017-05-25

A series of -conjugated oligomer-acceptor dyads were synthesized that feature oligo(phenylene ethynylene) (OPE) conjugated backbones end-capped with a naphthalene diimide (NDI) acceptor. The OPE segments vary in length from 4 to 8 phenylene ethynene units (PEn-NDI, where n = 4, 6 and 8). Fluorescence and transient absorption spectroscopy reveals that intramolecular OPE NDI charge transfer dominates the deactivation of excited states of the PEn-NDI oligomers. Both charge separation (CS) and charge recombination (CR) are strongly exothermic (G0CS ~ -1.1 and G0CR ~ -2.0 eV), and the driving forces do not vary much across the series because the oxidation and reduction potentials and singlet energies of the OPEs do not vary much with their length. Bimolecular photoinduced charge transfer between model OPEs that do not contain the NDI acceptors with methyl viologen was studied, and the results reveal that the absorption of the cation radical state (OPE+•) remains approximately constant ( ~ 575 nm) regardless of oligomer length. This finding suggests that the cation radical (polaron) of the OPE is relatively localized, effectively occupying a confined segment of n 4 repeat units in the longer oligomers. Photoinduced intramolecular electron transfer dynamics in the PEn-NDI series was investigated by UV-visible femtosecond transient absorption spectroscopy with visible and mid-infrared probes. Charge separation occurs on the 1 – 10 ps timescale, with the rates decreasing slightly with increased oligomer length (βCS ~ 0.15 Å-1). The rate for charge-recombination decreases in the sequence PE4-NDI > PE6-NDI ~ PE8-NDI. The discontinuous distance dependence in the rate for charge recombination may be related to the spatial localization of the positive polaron state in the longer oligomers.

Effect of Conjugation Length on Photoinduced Charge-Transfer in π-Conjugated Oligomer-Acceptor Dyads

KAUST Repository

Jiang, Junlin; Alsam, Amani Abdu; Wang, Shanshan; Aly, Shawkat Mohammede; Pan, Zhenxing; Mohammed, Omar F.; Schanze, Kirk S.

2017-01-01

A series of -conjugated oligomer-acceptor dyads were synthesized that feature oligo(phenylene ethynylene) (OPE) conjugated backbones end-capped with a naphthalene diimide (NDI) acceptor. The OPE segments vary in length from 4 to 8 phenylene ethynene units (PEn-NDI, where n = 4, 6 and 8). Fluorescence and transient absorption spectroscopy reveals that intramolecular OPE NDI charge transfer dominates the deactivation of excited states of the PEn-NDI oligomers. Both charge separation (CS) and charge recombination (CR) are strongly exothermic (G0CS ~ -1.1 and G0CR ~ -2.0 eV), and the driving forces do not vary much across the series because the oxidation and reduction potentials and singlet energies of the OPEs do not vary much with their length. Bimolecular photoinduced charge transfer between model OPEs that do not contain the NDI acceptors with methyl viologen was studied, and the results reveal that the absorption of the cation radical state (OPE+•) remains approximately constant ( ~ 575 nm) regardless of oligomer length. This finding suggests that the cation radical (polaron) of the OPE is relatively localized, effectively occupying a confined segment of n 4 repeat units in the longer oligomers. Photoinduced intramolecular electron transfer dynamics in the PEn-NDI series was investigated by UV-visible femtosecond transient absorption spectroscopy with visible and mid-infrared probes. Charge separation occurs on the 1 – 10 ps timescale, with the rates decreasing slightly with increased oligomer length (βCS ~ 0.15 Å-1). The rate for charge-recombination decreases in the sequence PE4-NDI > PE6-NDI ~ PE8-NDI. The discontinuous distance dependence in the rate for charge recombination may be related to the spatial localization of the positive polaron state in the longer oligomers.

Impact of exact exchange in the description of the electronic structure of organic charge-transfer molecular crystals

KAUST Repository

Fonari, Alexandr

2014-10-21

We evaluate the impact that the amount of nonlocal Hartree-Fock (%HF) exchange included in a hybrid density functional has on the microscopic parameters (transfer integrals, band gaps, bandwidths, and effective masses) describing charge transport in high-mobility organic crystals. We consider both crystals based on a single molecule, such as pentacene, and crystals based on mixed-stack charge-transfer systems, such as dibenzo-TTF–TCNQ. In the pentacene crystal, the band gap decreases and the effective masses increase linearly with an increase in the amount of %HF exchange. In contrast, in the charge-transfer crystals, while the band gap increases linearly, the effective masses vary only slightly with an increase in %HF exchange. We show that the superexchange nature of the electronic couplings in charge-transfer systems is responsible for this peculiar evolution of the effective masses. We compare the density functional theory results with results obtained within the G0W0 approximation as a way of benchmarking the optimal amount of %HF exchange needed in a given functional.

Line radiative transfer and statistical equilibrium

NARCIS (Netherlands)

Kamp, Inga

Atomic and molecular line emission from protoplanetary disks contains key information of their detailed physical and chemical structures. To unravel those structures, we need to understand line radiative transfer in dusty media and the statistical equilibrium, especially of molecules. I describe

Charge transfer and injection barrier at the metal-organic interfaces

Science.gov (United States)

Yan, Li

2002-09-01

The metal-organic interface plays a critical role in determining the functionality and performance of many innovative organic based devices. It has attracted extensive research interests in recent years. This thesis presents investigations of the electronic structures of organic materials, such as tris-(8-hydroxyquinoline) aluminum (Alq3) and copper phthalocyanine (CuPc), during their interface formation with metals. The characterization is accomplished by X-ray and ultraviolet photoelectron spectroscopes (XPS and UPS) and inverse photoelectron spectroscopy (IPES). As discussed herein, both occupied and unoccupied electronic states at the interfaces are carefully examined in different aspects. In Chapter 4, the charge transfer and chemical reaction at various metal/Alq3 interfaces are investigated using XPS and UPS to study the electron injection into the Alga film. Electron transfer from the low work function metal and Al/LiF(CsF) bilayer to the Alga has been observed. The role of the dielectric and possible chemistry at the interface are discussed in comparison of the low work function metals. Further in Chapter 5, the origin of the metal-interface dipole and the estimation of charge injection barrier is explored using several organic materials. A thermodynamic equilibrium model is extended to explain the relation between the charge transfer process ad the interface dipole. Further, in Chapter 6 the combination of XPS, UPS and IPES detailed the evolution of both occupied and unoccupied energy states during the alkali metal doping. The energy gap modification in organic due to metal doping is observed directly for the spectra. Chapter 7 provides stability study of the organic thin films under x-ray and UV light. The results verify the usability of UPS and XPS for the organic materials used in the thesis. Chapter 7 also shows the secondary ion mass spectroscopy results of metal diffusion in organic thin films.

Radiative transfer solutions for coupled atmosphere ocean systems using the matrix operator technique

International Nuclear Information System (INIS)

Hollstein, André; Fischer, Jürgen

2012-01-01

Accurate radiative transfer models are the key tools for the understanding of radiative transfer processes in the atmosphere and ocean, and for the development of remote sensing algorithms. The widely used scalar approximation of radiative transfer can lead to errors in calculated top of atmosphere radiances. We show results with errors in the order of±8% for atmosphere ocean systems with case one waters. Variations in sea water salinity and temperature can lead to variations in the signal of similar magnitude. Therefore, we enhanced our scalar radiative transfer model MOMO, which is in use at Freie Universität Berlin, to treat these effects as accurately as possible. We describe our one-dimensional vector radiative transfer model for an atmosphere ocean system with a rough interface. We describe the matrix operator scheme and the bio-optical model for case one waters. We discuss some effects of neglecting polarization in radiative transfer calculations and effects of salinity changes for top of atmosphere radiances. Results are shown for the channels of the satellite instruments MERIS and OLCI from 412.5 nm to 900 nm.

Analysis of linear energy transfers and quality factors of charged particles produced by spontaneous fission neutrons from 252Cf and 244Pu in the human body

International Nuclear Information System (INIS)

Endo, A.; Sato, T.

2013-01-01

Absorbed doses, linear energy transfers (LETs) and quality factors of secondary charged particles in organs and tissues, generated via the interactions of the spontaneous fission neutrons from. 252 Cf and. 244 Pu within the human body, were studied using the Particle and Heavy Ion Transport Code System (PHITS) coupled with the ICRP Reference Phantom. Both the absorbed doses and the quality factors in target organs generally decrease with increasing distance from the source organ. The analysis of LET distributions of secondary charged particles led to the identification of the relationship between LET spectra and target-source organ locations. A comparison between human body-averaged mean quality factors and fluence-averaged radiation weighting factors showed that the current numerical conventions for the radiation weighting factors of neutrons, updated in ICRP103, and the quality factors for internal exposure are valid. (authors)

Numerical studies of heat transfer by simultaneous radiative-conduction and radiative-convection in a two dimensional semi-transparent medium

International Nuclear Information System (INIS)

Draoui, Abdeslam

1989-01-01

The works we present here are on numerical approaches of heat transfer coupling radiation-conduction and radiation-convection within semi-transparent two-dimensional medium. The first part deals with a review of equations of radiative transfer and introduces three numerical methods (Pl, P3, Hottel's zones) which enable one to solve this problem in a two-dimensional environment. After comparing the three methods in the case where radiation is the only mode of transfer, we introduce in the second chapter a study of the coupling of radiation with conduction. So, a fourth method is used to solve this problem. These comparisons lead us to various methods which enable us to show the interest of the spherical harmonics approximations. In the third part, the Pl approximation is kept because it is simple to use, moreover it enables us to introduce both the coupling of radiative transfers with laminar convective equations in a thermally driven two-dimensional cavity. The results show a significant influence of the radiative participation of the fluid on heat and dynamic transfer we met in this type of problem. (author) [fr

Near thermal charge transfer between Ar+2 and N2

International Nuclear Information System (INIS)

Holzscheiter, H.M.; Church, D.A.

1981-01-01

The near thermal charge transfer reaction of Ar +2 with N 2 has been studied at total pressures below 10 -7 Torr using a stored ion technique. Ar +2 ions produced by electron impact double ionization of Ar gas were selectively stored for times the order of seconds in a split-ring Penning-type ion trap. The decay with time of the initial ion sample number in a mixture of Ar and N 2 gases was fit to the sum of two exponentials, corresponding to different reaction rates for the 3 P and 1 D low-lying Ar +2 levels. The observed Ar +2 number decrease is attributed to the double-charge transfer process Ar +2 +N 2 →Ar+N 2 +2 →Ar+N + +N + in accord with recent flow-tube measurements. A rate constant for the metastable Ar +2 ( 1 D) level reaction with a value k( 1 D)=1.4 x 10 -9 cm 3 /sec is obtained, using the previously measured rate constant for the Ar +2 ( 3 P) state

Charge transfer between acenes and PbS nanocrystals

Energy Technology Data Exchange (ETDEWEB)

Dissanayake, D M N M [Solid State Electronics Laboratory, University of Michigan, Ann Arbor, MI 48109-2122 (United States); Hatton, R A [Department of Chemistry, University of Warwick, Coventry CV4 7AL (United Kingdom); Lutz, T [Departments of Chemistry and Physics, Imperial College, London SW7 2AY (United Kingdom); Curry, R J; Silva, S R P [Advanced Technology Institute, University of Surrey, Guildford GU2 7XH (United Kingdom)], E-mail: ndissa@umich.edu

2009-05-13

Organic-inorganic hybrid heterojunctions have potential as the basis for future photovoltaic devices. Herein, we report the results of investigations exploring the possibility of using pentacene and tetracene as photoelectron donors in conjunction with PbS nanocrystals (PbS-NCs). Photoinduced charge transfer was probed using external quantum efficiency measurements on acene:PbS-NC hybrid photovoltaic devices in conjunction with photoluminescence studies of the corresponding bilayer films. It is shown that photoelectron transfer from pentacene to the PbS-NCs is inefficient as compared to that between tetracene and PbS-NCs. The latter case can be rationalized in terms of the energy level alignment at the heterojunction assuming a common vacuum level. However, in the case of pentacene:PbS-NC junctions an interfacial energy level shift must be considered in order to explain the observations.

Foundations of radiation physics and radiation protection. 5. ed.; Grundlagen der Strahlungsphysik und des Strahlenschutzes

Energy Technology Data Exchange (ETDEWEB)

Krieger, Hanno

2017-07-01

The following topics are dealt with: Types of radiation and radiation fields, the atomic structure, radioactive decays, decay law, natural and artificial radioactivity, interactions of ionizing photon radiation, attenuation of neutral-particle beams, interactions of neutron radiation, interactions of charged particles, ionization and energy transfer, radiation doses, radiation protection phantoms, foundations of the radiation biology of cells, effects and risks of ionizing radiation, radiation expositions of men with ionizing radiation, radiation protection law, practical radiation protection against ionizing radiations, radiation eposures in medical radiology. (HSI)

Coherent electromagnetic radiation of a modulated beam of charged particles

Energy Technology Data Exchange (ETDEWEB)

Pankratov, S G [The State Committee of Standards of the USSR, Moscow, USSR

1977-12-27

The intensity of electromagnetic radiation produced by a modulated beam of charged particles is estimated. The coherence effect is due to the modulation, i.e. to periodicity in the particles distribution.

Matrix formulations of radiative transfer including the polarization effect in a coupled atmosphere-ocean system

International Nuclear Information System (INIS)

Ota, Yoshifumi; Higurashi, Akiko; Nakajima, Teruyuki; Yokota, Tatsuya

2010-01-01

A vector radiative transfer model has been developed for a coupled atmosphere-ocean system. The radiative transfer scheme is based on the discrete ordinate and matrix operator methods. The reflection/transmission matrices and source vectors are obtained for each atmospheric or oceanic layer through the discrete ordinate solution. The vertically inhomogeneous system is constructed using the matrix operator method, which combines the radiative interaction between the layers. This radiative transfer scheme is flexible for a vertically inhomogeneous system including the oceanic layers as well as the ocean surface. Compared with the benchmark results, the computational error attributable to the radiative transfer scheme has been less than 0.1% in the case of eight discrete ordinate directions. Furthermore, increasing the number of discrete ordinate directions has produced computations with higher accuracy. Based on our radiative transfer scheme, simulations of sun glint radiation have been presented for wavelengths of 670 nm and 1.6 μm. Results of simulations have shown reasonable characteristics of the sun glint radiation such as the strongly peaked, but slightly smoothed radiation by the rough ocean surface and depolarization through multiple scattering by the aerosol-loaded atmosphere. The radiative transfer scheme of this paper has been implemented to the numerical model named Pstar as one of the OpenCLASTR/STAR radiative transfer code systems, which are widely applied to many radiative transfer problems, including the polarization effect.

Radiatively driven relativistic spherical winds under relativistic radiative transfer

Science.gov (United States)

Fukue, J.

2018-05-01

We numerically investigate radiatively driven relativistic spherical winds from the central luminous object with mass M and luminosity L* under Newtonian gravity, special relativity, and relativistic radiative transfer. We solve both the relativistic radiative transfer equation and the relativistic hydrodynamical equations for spherically symmetric flows under the double-iteration processes, to obtain the intensity and velocity fields simultaneously. We found that the momentum-driven winds with scattering are quickly accelerated near the central object to reach the terminal speed. The results of numerical solutions are roughly fitted by a relation of \\dot{m}=0.7(Γ _*-1)\\tau _* β _* β _out^{-2.6}, where \\dot{m} is the mass-loss rate normalized by the critical one, Γ* the central luminosity normalized by the critical one, τ* the typical optical depth, β* the initial flow speed at the central core of radius R*, and βout the terminal speed normalized by the speed of light. This relation is close to the non-relativistic analytical solution, \\dot{m} = 2(Γ _*-1)\\tau _* β _* β _out^{-2}, which can be re-expressed as β _out^2/2 = (Γ _*-1)GM/c^2 R_*. That is, the present solution with small optical depth is similar to that of the radiatively driven free outflow. Furthermore, we found that the normalized luminosity (Eddington parameter) must be larger than unity for the relativistic spherical wind to blow off with intermediate or small optical depth, i.e. Γ _* ≳ \\sqrt{(1+β _out)^3/(1-β _out)}. We briefly investigate and discuss an isothermal wind.

Synthetic system mimicking the energy transfer and charge separation of natural photosynthesis

Energy Technology Data Exchange (ETDEWEB)

Gust, D.; Moore, T.A.

1985-05-01

A synthetic molecular triad consisting of a porphyrin P linked to both a quinone Q and a carotenoid polyene C has been prepared as a mimic of natural photosynthesis for solar energy conversion purposes. Laser flash excitation of the porphyrin moiety yields a charge-separated state Csup(+.)-P-Qsup(-.) within 100 ps with a quantum yield of more than 0.25. This charge-separated state has a lifetime on the microsecond time scale in suitable solvents. The triad also models photosynthetic antenna function and photoprotection from singlet oxygen damge. The successful biomimicry of photosynthetic charge separation is in part the result of multistep electron transfers which rapidly separate the charges and leave the system at high potential, but with a considerable barrier to recombination.

Origin of interface states and oxide charges generated by ionizing radiation

International Nuclear Information System (INIS)

Sah, C.T.

1976-01-01

The randomly located trivalent silicon atoms are shown to account for the thermally generated interface states at the SiO 2 -Si interface. The interface state density is greatly reduced in water containing ambients at low temperatures (450 0 C) by forming trivalent silicon hydroxide bonds. Interface states are regenerated when the /triple bond/Si-OH bonds are broken by ionizing radiation and the OH ions are drifted away. In the bulk of the oxide film, the trivalent silicon and the interstitial oxygen donor centers are shown to be responsible for the heat and radiation generated positive space charge build-up (oxide charge) in thermally grown silicon oxide

On similarity and scaling of the radiative transfer equation

International Nuclear Information System (INIS)

Mitrescu, C.; Stephens, G.L.

2004-01-01

The present paper shows how the well-known similarity and scaling concepts are properties of the radiative transfer equation and not specifically of the degree of anisotropy of the phase function. It is shown that the key assumption regarding the angular dependence of the radiative field is essential in determining both the value for the parameter used to scale the radiative transfer, as well as the number of streams used in calculating the radiances for various atmospheric problems. Simulations performed on realistic type of cirrus clouds, characterized by strongly anisotropic functions, demonstrates the superior computational advantage for accurately simulating radiances. A new approach for determining the scaling parameter is introduced

Discrete diffusion Monte Carlo for frequency-dependent radiative transfer

International Nuclear Information System (INIS)

Densmore, Jeffery D.; Thompson, Kelly G.; Urbatsch, Todd J.

2011-01-01

Discrete Diffusion Monte Carlo (DDMC) is a technique for increasing the efficiency of Implicit Monte Carlo radiative-transfer simulations. In this paper, we develop an extension of DDMC for frequency-dependent radiative transfer. We base our new DDMC method on a frequency integrated diffusion equation for frequencies below a specified threshold. Above this threshold we employ standard Monte Carlo. With a frequency-dependent test problem, we confirm the increased efficiency of our new DDMC technique. (author)

Heat transfer augmentation of a car radiator using nanofluids

Science.gov (United States)

Hussein, Adnan M.; Bakar, R. A.; Kadirgama, K.; Sharma, K. V.

2014-05-01

The car radiator heat transfer enhancement by using TiO2 and SiO2 nanoparticles dispersed in water as a base fluid was studied experimentally. The test rig is setup as a car radiator with tubes and container. The range of Reynolds number and volume fraction are (250-1,750) and (1.0-2.5 %) respectively. Results showed that the heat transfer increases with increasing of nanofluid volume fraction. The experimental data is agreed with other investigator.

A study of Monte Carlo radiative transfer through fractal clouds

Energy Technology Data Exchange (ETDEWEB)

Gautier, C.; Lavallec, D.; O`Hirok, W.; Ricchiazzi, P. [Univ. of California, Santa Barbara, CA (United States)] [and others

1996-04-01

An understanding of radiation transport (RT) through clouds is fundamental to studies of the earth`s radiation budget and climate dynamics. The transmission through horizontally homogeneous clouds has been studied thoroughly using accurate, discreet ordinates radiative transfer models. However, the applicability of these results to general problems of global radiation budget is limited by the plane parallel assumption and the fact that real clouds fields show variability, both vertically and horizontally, on all size scales. To understand how radiation interacts with realistic clouds, we have used a Monte Carlo radiative transfer model to compute the details of the photon-cloud interaction on synthetic cloud fields. Synthetic cloud fields, generated by a cascade model, reproduce the scaling behavior, as well as the cloud variability observed and estimated from cloud satellite data.

A fast infrared radiative transfer model for overlapping clouds

International Nuclear Information System (INIS)

Niu Jianguo; Yang Ping; Huang Hunglung; Davies, James E.; Li Jun; Baum, Bryan A.; Hu, Yong X.

2007-01-01

A fast infrared radiative transfer model (FIRTM2) appropriate for application to both single-layered and overlapping cloud situations is developed for simulating the outgoing infrared spectral radiance at the top of the atmosphere (TOA). In FIRTM2 a pre-computed library of cloud reflectance and transmittance values is employed to account for one or two cloud layers, whereas the background atmospheric optical thickness due to gaseous absorption can be computed from a clear-sky radiative transfer model. FIRTM2 is applicable to three atmospheric conditions: (1) clear-sky (2) single-layered ice or water cloud, and (3) two simultaneous cloud layers in a column (e.g., ice cloud overlying water cloud). Moreover, FIRTM2 outputs the derivatives (i.e., Jacobians) of the TOA brightness temperature with respect to cloud optical thickness and effective particle size. Sensitivity analyses have been carried out to assess the performance of FIRTM2 for two spectral regions, namely the longwave (LW) band (587.3-1179.5 cm -1 ) and the short-to-medium wave (SMW) band (1180.1-2228.9 cm -1 ). The assessment is carried out in terms of brightness temperature differences (BTD) between FIRTM2 and the well-known discrete ordinates radiative transfer model (DISORT), henceforth referred to as BTD (F-D). The BTD (F-D) values for single-layered clouds are generally less than 0.8 K. For the case of two cloud layers (specifically ice cloud over water cloud), the BTD (F-D) values are also generally less than 0.8 K except for the SMW band for the case of a very high altitude (>15 km) cloud comprised of small ice particles. Note that for clear-sky atmospheres, FIRTM2 reduces to the clear-sky radiative transfer model that is incorporated into FIRTM2, and the errors in this case are essentially those of the clear-sky radiative transfer model

Charge and energy transfer interplay in hybrid sensitized solar cells mediated by graphene quantum dots

International Nuclear Information System (INIS)

Mihalache, Iuliana; Radoi, Antonio; Mihaila, Mihai; Munteanu, Cornel; Marin, Alexandru; Danila, Mihai; Kusko, Mihaela; Kusko, Cristian

2015-01-01

Highlights: • We report a one pot synthesis metod of GQD with controlled size and optoelectronic properties. • An improvement of common N3-DSSC characteristics is achieved when GQDs are used as co-sensitiser. • The role of GQD as cosensitisers in hybrid DSSC was investigated and the interplay between charge and energy transfer phenomena mediated by GQDs was demonstrated. • The GQDs presence determines an inhibition of the recombination processes at the TiO 2 /electrolyte interface. - Abstract: We explored the role of graphene quantum dots (GQDs) as co-sensitizers in hybrid dye sensitized solar cell (DSSC) architectures, focusing on various concurring mechanisms, such as: charge transfer, energy transfer and recombination rate, towards light harvesting improvement. GQDs were prepared by the hydrothermal method that allows the tuning of electronic levels and optical properties by employing appropriate precursors and synthesis conditions. The aim was to realize a type II alignment for TiO 2 /GQD/dye hybrid configuration, using standard N3 Ru-dye in order to improve charge transfer. When GQDs were used as co-sensitizers together with N3 Ru-dye, an improvement in power conversion efficiency was achieved, as shown by electrical measurements. The experimental analysis indicates that this improvement arises from the interplay of various mechanisms mediated by GQDs: (i) enhancement of charge separation and collection due to the cascaded alignment of the energy levels; (ii) energy transfer from GQDs to N3 Ru-dye due to the overlap between GQD photoluminescence and N3 Ru-dye absorption spectra; and (iii) reduction of the electron recombination to the redox couple due to the inhibition of the back electron transfer to the electrolyte by the GQDs

Radiation by moving charges

International Nuclear Information System (INIS)

Geloni, Gianluca; Kocharyan, Vitali; Saldin, Evgeni

2017-04-01

It is generally accepted that in order to describe the dynamics of relativistic particles in the laboratory (lab) frame it is sufficient to take into account the relativistic dependence of the particle momenta on the velocity. This solution of the dynamics problem in the lab frame makes no reference to Lorentz transformations. For this reason they are not discussed in particle tracking calculations in accelerator and plasma physics. It is generally believed that the electrodynamics problem can be treated within the same ''single inertial frame'' description without reference to Lorentz transformations. In particular, in order to evaluate radiation fields arising from charged particles in motion we need to know their velocities and positions as a function of the lab frame time t. The relativistic motion of a particle in the lab frame is described by Newton's second law ''corrected'' for the relativistic dependence of momentum on velocity. It is assumed in all standard derivations that one can perform identification of the trajectories in the source part of the usual Maxwell's equations with the trajectories vector x(t) measured (or calculated by using the corrected Newton's second law) in the lab frame. This way of coupling fields and particles is considered since more than a century as the relativistically correct procedure.We argue that this procedure needs to be changed, and we demonstrate the following, completely counterintuitive statement: the results of conventional theory of radiation by relativistically moving charges are not consistent with the principle of relativity. In order to find the trajectory of a particle in the lab frame consistent with the usual Maxwell's equations, one needs to solve the dynamic equation inmanifestly covariant form by using the coordinate-independent proper time τ to parameterize the particle world-line in space-time. We show that there is a difference between ''true'' particle trajectory vector x(t) calculated or measured in

Charge transfer collisions of Si^3+ with H at low energies

Science.gov (United States)

Joseph, D. C.; Gu, J. P.; Saha, B. C.

2009-11-01

Charge transfer of positively charged ions with atomic hydrogen is important not only in magnetically confined plasmas between impurity ions and H atoms from the chamber walls influences the overall ionization balance and effects the plasma cooling but also in astrophysics, where it plays a key role in determining the properties of the observed gas. It also provides a recombination mechanism for multiply charged ions in X-ray ionized astronomical environments. We report an investigation using the molecular-orbital close-coupling (MOCC) method, both quantum mechanically and semi-classically, in the adiabatic representation. Ab initio adiabatic potentials and coupling matrix elements--radial and angular--are calculated using the MRD-CI method. Comparison of our results with other theoretical as well as experimental findings will be discussed.

Theoretical Study of the Charge-Transfer State Separation within Marcus Theory

DEFF Research Database (Denmark)

Volpi, Riccardo; Nassau, Racine; Nørby, Morten Steen

2016-01-01

We study, within Marcus theory, the possibility of the charge-transfer (CT) state splitting at organic interfaces and a subsequent transport of the free charge carriers to the electrodes. As a case study we analyze model anthracene-C60 interfaces. Kinetic Monte Carlo (KMC) simulations on the cold...... CT state were performed at a range of applied electric fields, and with the fields applied at a range of angles to the interface to simulate the action of the electric field in a bulk heterojunction (BHJ) interface. The results show that the inclusion of polarization in our model increases CT state...... dissociation and charge collection. The effect of the electric field on CT state splitting and free charge carrier conduction is analyzed in detail with and without polarization. Also, depending on the relative orientation of the anthracene and C60 molecules at the interface, CT state splitting shows different...

Charge transfer in dissociating iodomethane and fluoromethane molecules ionized by intense femtosecond X-ray pulses

Directory of Open Access Journals (Sweden)

Rebecca Boll

2016-07-01

Full Text Available Ultrafast electron transfer in dissociating iodomethane and fluoromethane molecules was studied at the Linac Coherent Light Source free-electron laser using an ultraviolet-pump, X-ray-probe scheme. The results for both molecules are discussed with respect to the nature of their UV excitation and different chemical properties. Signatures of long-distance intramolecular charge transfer are observed for both species, and a quantitative analysis of its distance dependence in iodomethane is carried out for charge states up to I21+. The reconstructed critical distances for electron transfer are in good agreement with a classical over-the-barrier model and with an earlier experiment employing a near-infrared pump pulse.

Single-crystal charge transfer interfaces for efficient photonic devices (Conference Presentation)

Science.gov (United States)

Alves, Helena; Pinto, Rui M.; Maçôas, Ermelinda M. S.; Baleizão, Carlos; Santos, Isabel C.

2016-09-01

Organic semiconductors have unique optical, mechanical and electronic properties that can be combined with customized chemical functionality. In the crystalline form, determinant features for electronic applications such as molecular purity, the charge mobility or the exciton diffusion length, reveal a superior performance when compared with materials in a more disordered form. Combining crystals of two different conjugated materials as even enable a new 2D electronic system. However, the use of organic single crystals in devices is still limited to a few applications, such as field-effect transistors. In 2013, we presented the first system composed of single-crystal charge transfer interfaces presenting photoconductivity behaviour. The system composed of rubrene and TCNQ has a responsivity reaching 1 A/W, corresponding to an external quantum efficiency of nearly 100%. A similar approach, with a hybrid structure of a PCBM film and rubrene single crystal also presents high responsivity and the possibility to extract excitons generated in acceptor materials. This strategy led to an extended action towards the near IR. By adequate material design and structural organisation of perylediimides, we demonstrate that is possible to improve exciton diffusion efficiency. More recently, we have successfully used the concept of charge transfer interfaces in phototransistors. These results open the possibility of using organic single-crystal interfaces in photonic applications.

Excited state intramolecular charge transfer reaction in binary mixtures of water and tertiary butanol (TBA): alcohol mole fraction dependence.

Science.gov (United States)

Pradhan, Tuhin; Ghoshal, Piue; Biswas, Ranjit

2008-02-07

The excited state intramolecular charge transfer reaction of 4-(1-azetidinyl)benzonitrile (P4C) has been studied in water-tertiary butanol (TBA) mixtures at different alcohol mole fractions by using steady state and time-resolved fluorescence spectroscopy. The ratio between the areas under the locally excited (LE) and charge transferred (CT) emission bands is found to exhibit a sharp rise at alcohol mole fraction approximately 0.04, a value at which several thermodynamic properties of this mixture is known to show anomalous change due to the enhancement of H-bonding network. The radiative rate associated with the LE emission also shows a maximum at this TBA mole fraction. Although the structural transition from the water-like tetrahedral network to the alcohol-like chain is reflected in the red shift of the absorption spectrum up to TBA mole fraction approximately 0.10, the emission bands (both LE and CT) show the typical nonideal alcohol mole fraction dependence at all TBA mole fractions. Quantum yield, CT radiative rate as well as transition moments also exhibit a nonideal alcohol mole fraction dependence. The time-resolved emission decay of P4C has been found to be biexponential at all TBA mole fractions, regardless of emission collection around either the LE or the CT bands. The time constant associated with the slow component (tau(slow)) shows a minimum at TBA mole fraction approximately 0.04, whereas such a minimum for the fast time constant, tau(fast) (representing the rate of LE --> CT conversion reaction) is not observed. The nonobservation of the minimum in tau(fast) might be due to the limited time resolution employed in our experiments.

Ultrafast spin exchange-coupling torque via photo-excited charge-transfer processes

Science.gov (United States)

Ma, X.; Fang, F.; Li, Q.; Zhu, J.; Yang, Y.; Wu, Y. Z.; Zhao, H. B.; Lüpke, G.

2015-10-01

Optical control of spin is of central importance in the research of ultrafast spintronic devices utilizing spin dynamics at short time scales. Recently developed optical approaches such as ultrafast demagnetization, spin-transfer and spin-orbit torques open new pathways to manipulate spin through its interaction with photon, orbit, charge or phonon. However, these processes are limited by either the long thermal recovery time or the low-temperature requirement. Here we experimentally demonstrate ultrafast coherent spin precession via optical charge-transfer processes in the exchange-coupled Fe/CoO system at room temperature. The efficiency of spin precession excitation is significantly higher and the recovery time of the exchange-coupling torque is much shorter than for the demagnetization procedure, which is desirable for fast switching. The exchange coupling is a key issue in spin valves and tunnelling junctions, and hence our findings will help promote the development of exchange-coupled device concepts for ultrafast coherent spin manipulation.

Charge transport properties of CdMnTe radiation detectors

Directory of Open Access Journals (Sweden)

Prokopovich D. A.

2012-10-01

Full Text Available Growth, fabrication and characterization of indium-doped cadmium manganese telluride (CdMnTe radiation detectors have been described. Alpha-particle spectroscopy measurements and time resolved current transient measurements have yielded an average charge collection efficiency approaching 100 %. Spatially resolved charge collection efficiency maps have been produced for a range of detector bias voltages. Inhomogeneities in the charge transport of the CdMnTe crystals have been associated with chains of tellurium inclusions within the detector bulk. Further, it has been shown that the role of tellurium inclusions in degrading charge collection is reduced with increasing values of bias voltage. The electron drift velocity was calculated from the rise time distribution of the preamplifier output pulses at each measured bias. From the dependence of drift velocity on applied electric field the electron mobility was found to be μn = (718 ± 55 cm2/Vs at room temperature.

Gas Temperature and Radiative Heat Transfer in Oxy-fuel Flames

DEFF Research Database (Denmark)

Bäckström, Daniel; Johansson, Robert; Andersson, Klas

This work presents measurements of the gas temperature, including fluctuations, and its influence on the radiative heat transfer in oxy-fuel flames. The measurements were carried out in the Chalmers 100 kW oxy-fuel test unit. The in-furnace gas temperature was measured by a suction pyrometer...... on the radiative heat transfer shows no effect of turbulence-radiation interaction. However, by comparing with temperature fluctuations in other flames it can be seen that the fluctuations measured here are relatively small. Further research is needed to clarify to which extent the applied methods can account...

Bridging the Radiative Transfer Models for Meteorology and Solar Energy Applications

Science.gov (United States)

Xie, Y.; Sengupta, M.

2017-12-01

Radiative transfer models are used to compute solar radiation reaching the earth surface and play an important role in both meteorology and solar energy studies. Therefore, they are designed to meet the needs of specialized applications. For instance, radiative transfer models for meteorology seek to provide more accurate cloudy-sky radiation compared to models used in solar energy that are geared towards accuracy in clear-sky conditions associated with the maximum solar resource. However, models for solar energy applications are often computationally faster, as the complex solution of the radiative transfer equation is parameterized by atmospheric properties that can be acquired from surface- or satellite-based observations. This study introduces the National Renewable Energy Laboratory's (NREL's) recent efforts to combine the advantages of radiative transfer models designed for meteorology and solar energy applictions. A fast all-sky radiation model, FARMS-NIT, was developed to efficiently compute narrowband all-sky irradiances over inclined photovoltaic (PV) panels. This new model utilizes the optical preperties from a solar energy model, SMARTS, to computes surface radiation by considering all possible paths of photon transmission and the relevent scattering and absorption attenuation. For cloudy-sky conditions, cloud bidirectional transmittance functions (BTDFs) are provided by a precomputed lookup table (LUT) by LibRadtran. Our initial results indicate that FARMS-NIT has an accuracy that is similar to LibRadtran, a highly accurate multi-stream model, but is significantly more efficient. The development and validation of this model will be presented.

On the derivation of vector radiative transfer equation for polarized radiative transport in graded index media

International Nuclear Information System (INIS)

Zhao, J.M.; Tan, J.Y.; Liu, L.H.

2012-01-01

Light transport in graded index media follows a curved trajectory determined by Fermat's principle. Besides the effect of variation of the refractive index on the transport of radiative intensity, the curved ray trajectory will induce geometrical effects on the transport of polarization ellipse. This paper presents a complete derivation of vector radiative transfer equation for polarized radiation transport in absorption, emission and scattering graded index media. The derivation is based on the analysis of the conserved quantities for polarized light transport along curved trajectory and a novel approach. The obtained transfer equation can be considered as a generalization of the classic vector radiative transfer equation that is only valid for uniform refractive index media. Several variant forms of the transport equation are also presented, which include the form for Stokes parameters defined with a fixed reference and the Eulerian forms in the ray coordinate and in several common orthogonal coordinate systems.

Thermodynamics and Hawking radiation of five-dimensional rotating charged Goedel black holes

International Nuclear Information System (INIS)

Wu Shuangqing; Peng Junjin

2011-01-01

We study the thermodynamics of Goedel-type rotating charged black holes in five-dimensional minimal supergravity. These black holes exhibit some peculiar features such as the presence of closed timelike curves and the absence of a globally spatial-like Cauchy surface. We explicitly compute their energies, angular momenta, and electric charges that are consistent with the first law of thermodynamics. Besides, we extend the covariant anomaly cancellation method, as well as the approach of the effective action, to derive their Hawking fluxes. Both the methods of the anomaly cancellation and the effective action give the same Hawking fluxes as those from the Planck distribution for blackbody radiation in the background of the charged rotating Goedel black holes. Our results further support that Hawking radiation is a quantum phenomenon arising at the event horizon.

Development of highly accurate approximate scheme for computing the charge transfer integral

Energy Technology Data Exchange (ETDEWEB)

Pershin, Anton; Szalay, Péter G. [Laboratory for Theoretical Chemistry, Institute of Chemistry, Eötvös Loránd University, P.O. Box 32, H-1518 Budapest (Hungary)

2015-08-21

The charge transfer integral is a key parameter required by various theoretical models to describe charge transport properties, e.g., in organic semiconductors. The accuracy of this important property depends on several factors, which include the level of electronic structure theory and internal simplifications of the applied formalism. The goal of this paper is to identify the performance of various approximate approaches of the latter category, while using the high level equation-of-motion coupled cluster theory for the electronic structure. The calculations have been performed on the ethylene dimer as one of the simplest model systems. By studying different spatial perturbations, it was shown that while both energy split in dimer and fragment charge difference methods are equivalent with the exact formulation for symmetrical displacements, they are less efficient when describing transfer integral along the asymmetric alteration coordinate. Since the “exact” scheme was found computationally expensive, we examine the possibility to obtain the asymmetric fluctuation of the transfer integral by a Taylor expansion along the coordinate space. By exploring the efficiency of this novel approach, we show that the Taylor expansion scheme represents an attractive alternative to the “exact” calculations due to a substantial reduction of computational costs, when a considerably large region of the potential energy surface is of interest. Moreover, we show that the Taylor expansion scheme, irrespective of the dimer symmetry, is very accurate for the entire range of geometry fluctuations that cover the space the molecule accesses at room temperature.

Charge-coupled devices as positron sensitive detectors of x-radiation

International Nuclear Information System (INIS)

Volkov, G.S.; Zazhivikhin, V.V.; Zajtsev, V.I.; Mishevskij, V.O.

1996-01-01

Results of theoretical and experimental studies on the sensitivity and spatial resolution of devices with a charge link (CLD) within the X-radiation energy range are described. The areas of the device application are considered

Strategies to enhance the excitation energy-transfer efficiency in a light-harvesting system using the intra-molecular charge transfer character of carotenoids

Energy Technology Data Exchange (ETDEWEB)

Yukihira, Nao [Department of Applied Chemistry for Environment; School of Science and Technology; Kwansei Gakuin University; Sanda; Japan; Sugai, Yuko [Department of Applied Chemistry for Environment; School of Science and Technology; Kwansei Gakuin University; Sanda; Japan; Fujiwara, Masazumi [Department of Applied Chemistry for Environment; School of Science and Technology; Kwansei Gakuin University; Sanda; Japan; Kosumi, Daisuke [Institute of Pulsed Power Science; Kumamoto University; Kumamoto; Japan; Iha, Masahiko [South Product Co. Ltd.; Uruma-shi; Japan; Sakaguchi, Kazuhiko [Department of Chemistry; Graduate School of Science; Osaka City University; Osaka 558-8585; Japan; Katsumura, Shigeo [Department of Chemistry; Graduate School of Science; Osaka City University; Osaka 558-8585; Japan; Gardiner, Alastair T. [Glasgow Biomedical Research Centre; University of Glasgow; 126 University Place; Glasgow, G12 8QQ; UK; Cogdell, Richard J. [Glasgow Biomedical Research Centre; University of Glasgow; 126 University Place; Glasgow, G12 8QQ; UK; Hashimoto, Hideki [Department of Applied Chemistry for Environment; School of Science and Technology; Kwansei Gakuin University; Sanda; Japan

2017-01-01

Fucoxanthin is a carotenoid that is mainly found in light-harvesting complexes from brown algae and diatoms. Due to the presence of a carbonyl group attached to polyene chains in polar environments, excitation produces an excited intra-molecular charge transfer. This intra-molecular charge transfer state plays a key role in the highly efficient (~95%) energy-transfer from fucoxanthin to chlorophyllain the light-harvesting complexes from brown algae. In purple bacterial light-harvesting systems the efficiency of excitation energy-transfer from carotenoids to bacteriochlorophylls depends on the extent of conjugation of the carotenoids. In this study we were successful, for the first time, in incorporating fucoxanthin into a light-harvesting complex 1 from the purple photosynthetic bacterium,Rhodospirillum rubrumG9+ (a carotenoidless strain). Femtosecond pump-probe spectroscopy was applied to this reconstituted light-harvesting complex in order to determine the efficiency of excitation energy-transfer from fucoxanthin to bacteriochlorophyllawhen they are bound to the light-harvesting 1 apo-proteins.

Near-field radiative heat transfer between graphene-covered hyperbolic metamaterials

Science.gov (United States)

Hong, Xiao-Juan; Li, Jian-Wen; Wang, Tong-Biao; Zhang, De-Jian; Liu, Wen-Xing; Liao, Qing-Hua; Yu, Tian-Bao; Liu, Nian-Hua

2018-04-01

We propose the use of graphene-covered silicon carbide (SiC) nanowire arrays (NWAs) for theoretical studies of near-field radiative heat transfer. The SiC NWAs exhibit a hyperbolic characteristic at an appropriately selected filling-volume fraction. The surface plasmon supported by graphene and the hyperbolic modes supported by SiC NWAs significantly affect radiative heat transfer. The heat-transfer coefficient (HTC) between the proposed structures is larger than that between SiC NWAs. We also find that the chemical potential of graphene plays an important role in modulating the HTC. The tunability of chemical potential through gate voltage enables flexible control of heat transfer using the graphene-covered SiC NWAs.

Polarization and charge transfer in the hydration of chloride ions

International Nuclear Information System (INIS)

Zhao Zhen; Rogers, David M.; Beck, Thomas L.

2010-01-01

A theoretical study of the structural and electronic properties of the chloride ion and water molecules in the first hydration shell is presented. The calculations are performed on an ensemble of configurations obtained from molecular dynamics simulations of a single chloride ion in bulk water. The simulations utilize the polarizable AMOEBA force field for trajectory generation and MP2-level calculations are performed to examine the electronic structure properties of the ions and surrounding waters in the external field of more distant waters. The ChelpG method is employed to explore the effective charges and dipoles on the chloride ions and first-shell waters. The quantum theory of atoms in molecules (QTAIM) is further utilized to examine charge transfer from the anion to surrounding water molecules. The clusters extracted from the AMOEBA simulations exhibit high probabilities of anisotropic solvation for chloride ions in bulk water. From the QTAIM analysis, 0.2 elementary charges are transferred from the ion to the first-shell water molecules. The default AMOEBA model overestimates the average dipole moment magnitude of the ion compared to the quantum mechanical value. The average magnitude of the dipole moment of the water molecules in the first shell treated at the MP2-level, with the more distant waters handled with an AMOEBA effective charge model, is 2.67 D. This value is close to the AMOEBA result for first-shell waters (2.72 D) and is slightly reduced from the bulk AMOEBA value (2.78 D). The magnitude of the dipole moment of the water molecules in the first solvation shell is most strongly affected by the local water-water interactions and hydrogen bonds with the second solvation shell, rather than by interactions with the ion.

Radiation doping methods of semiconductor materials: the nuclear doping by charged particles

International Nuclear Information System (INIS)

Kozlovskii, V.V.; Zakharenkov, L.F.

1996-01-01

A review is given of the state of the art in one of the current topics in radiation doping of semiconductors, which is process of nuclear transmutation doping (NTD) by charged particles. In contrast to the neutron and photonuclear transmutation doping, which have been dealt with in monograths and reviews, NTD caused by the action of charged particles is a subject growing very rapidly in the last 10-15 years, but still lacking systematic accounts. The review consists of three sections. The first section deals with the characteristics of nuclear reactions in semiconductors caused by the action of charged particles: the main stress is on the modeling of NTD processes in semiconductors under the action of charged particles. In the second section the state of the art of experimental investigations of NTD under the influence of charged particles is considered. An analysis is made of the communications reporting experimental data on the total numbers of dopants which are introduced, concentration of the electrically active fraction of the impurity, profiles of the dopant distributions, and conditions for efficient annealing of radiation defects. The third section deals with the suitability of NTD by charged particles for the fabrication of semiconductor devices. (author)

Spectroscopy and dynamics of charge transfer excitons in type-II band aligned quantum confined heterostructures

Energy Technology Data Exchange (ETDEWEB)

Kushavah, Dushyant [Centre for Research in Nanotechnology and Science, IIT Bombay-400076, Mumbai (India); Mohapatra, P. K.; Vasa, P.; Singh, B. P., E-mail: bhanups@iitb.ac.in [Department of physics, IIT Bombay, Mumbai-400076 (India); Rustagi, K. C. [Indian Institute of Science Education and Research Bhopal-462066, Bhopal (India); Bahadur, D. [Department of Metallurgical Engineering and Materials Science, IIT Bombay, Mumbai-400076 (India)

2015-05-15

We illustrate effect of charge transfer (CT) in type-II quantum confined heterostructure by comparing CdSe quantum dots (QDs), CdSe/CdTe heterostructure quantum dots (HQDs) and CdSe/CdTe/CdSe quantum well-quantum dots (QWQDs) heterostructures. CdSe core QDs were synthesized using a kinetic growth method where QD size depends on reaction time. For shell coating we used modified version of successive ionic layer adsorption and reaction (SILAR). Size of different QDs ∼5 to 7 nm were measured by transmission electron microscopy (TEM). Strong red shift from ∼597 to ∼746 nm in photoluminescence (PL) spectra from QDs to QWQDs shows high tunability which is not possible with single constituent semiconductor QDs. PL spectra have been recorded at different temperatures (10K-300K). Room temperature time correlated single photon counting (TCSPC) measurements for QDs to QWQDs show three exponential radiative decay. The slowest component decay constant in QWQDs comes around eight fold to ∼51 ns as compared to ∼6.5 ns in HQD suggesting new opportunities to tailor the radiative carrier recombination rate of CT excitons.

Hydrogenated amorphous silicon radiation detectors: Material parameters; radiation hardness; charge collection

International Nuclear Information System (INIS)

Qureshi, S.

1991-01-01

Properties of hydrogenated amorphous silicon p-i-n diodes relevant to radiation detection applications were studied. The interest in using this material for radiation detection applications in physics and medicine was motivated by its high radiation hardness and the fact that it can be deposited over large area at relatively low cost. Thick, fully depleted a-Si:H diodes are required for sufficient energy deposition by a charged particle and better signal to noise ratio. A sizeable electric field is essential for charge collection in a -Si:H diodes. The large density of ionized defects that exist in the i layer when the diode is under DC bias causes the electric field to be uniform. Material parameters, namely carrier mobility and lifetime and the ionized defect density in thick a-Si:H p-i-n diodes were studied by the transient photoconductivity method. The increase in diode leakage current with reverse bias over the operating bias was consistent with the Poole-Frenkel effect, involving excitation of carriers from neutral defects. The diode noise over the operating voltage range was completely explained in terms of the shot noise component for CR-(RC) 4 (pseudo-Gaussian) shaping at 3 μs shaping time and the noise component at 0 V bias (delta and thermal noise) added in quadrature. Irradiation with 1 Mev neutrons produced no significant degradation in leakage current and noise at fluences exceeding 4 x 10 14 cm -2 . Irradiation with 1.4 Mev proton fluence of 1 x 10 14 cm -2 decreased carrier lifetime by a factor of ∼4. Degradation in leakage current and noise became significant at proton fluence of ∼10 13 cm -2

Radiative transfer equation for graded index medium in cylindrical and spherical coordinate systems

International Nuclear Information System (INIS)

Liu, L.H.; Zhang, L.; Tan, H.P.

2006-01-01

In graded index medium, the ray goes along a curved path determined by Fermat principle, and the curved ray-tracing is very difficult and complex. To avoid the complicated and time-consuming computation of curved ray trajectory, the methods not based on ray-tracing technique need to be developed for the solution of radiative transfer in graded index medium. For this purpose, in this paper the streaming operator along a curved ray trajectory in original radiative transfer equation for graded index medium is transformed and expressed in spatial and angular ordinates and the radiative transfer equation for graded index medium in cylindrical and spherical coordinate systems are derived. The conservative and the non-conservative forms of radiative transfer equation for three-dimensional graded index medium are given, which can be used as base equations to develop the numerical simulation methods, such as finite volume method, discrete ordinates method, and finite element method, for radiative transfer in graded index medium in cylindrical and spherical coordinate systems

Spectroscopic study of the charge-transfer complexes TiCl4/styrene and TiCl4/polystyrene

Science.gov (United States)

Gonçalves, Norberto S.; Noda, Lúcia. K.

2017-10-01

In this work, solutions of TiCl4/styrene and TiCl4/polystyrene charge-transfer complexes in CHCl3 or CDCl3 were investigated by UV-vis, resonance Raman and 1H NMR spectroscopies in order to study their molecular and electronic structures. Both show a yellow colour due to absorption in the 400 nm region, related to a charge-transfer transition. In Raman spectra, as the excitation approaches the resonance region, the primary enhancement of aromatic ring modes was mainly observed, rather than intensification of the vinylic double-bond stretch. Under the experimental conditions it was observed that formation of polystyrene takes place, as showed by 1H NMR spectra, and the most significant interaction occurs at the aromatic ring, as supported by the results from interaction of TiCl4 with polystyrene, as indicated by the charge-transfer band and resonant intensification of the aromatic ring modes.

Radiation of ultrarelativistic charge taking into account for multiple scattering

International Nuclear Information System (INIS)

Yang, C.

1977-01-01

A brief theoretical review of characteristics of X-rays and more hard radiation formed by an ultrarelativistic charged particle passing through a plate or a stack of plates with regard for multiple scattering and the plate material absorptivity is made. Formulas for frequency- angular and frequency distributions of total radiation in the cases of a plate and of a stack of plates with large spacings as well as a stack of sufficiently thick plates are given. A calculation method for the radiation distributions in a general case of an arbitrary stack is pointed out. The frequency distribution of the total radiation consisting of bremsstrahlung and boundary effects is analyzed in detail. A problem of experimental separation of the boundary effect from the total radiation is discussed

Communication: Modeling of concentration dependent water diffusivity in ionic solutions: Role of intermolecular charge transfer

Energy Technology Data Exchange (ETDEWEB)

Yao, Yi; Berkowitz, Max L., E-mail: maxb@unc.edu, E-mail: ykanai@unc.edu; Kanai, Yosuke, E-mail: maxb@unc.edu, E-mail: ykanai@unc.edu [Department of Chemistry, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599 (United States)

2015-12-28

The translational diffusivity of water in solutions of alkali halide salts depends on the identity of ions, exhibiting dramatically different behavior even in solutions of similar salts of NaCl and KCl. The water diffusion coefficient decreases as the salt concentration increases in NaCl. Yet, in KCl solution, it slightly increases and remains above bulk value as salt concentration increases. Previous classical molecular dynamics simulations have failed to describe this important behavior even when polarizable models were used. Here, we show that inclusion of dynamical charge transfer among water molecules produces results in a quantitative agreement with experiments. Our results indicate that the concentration-dependent diffusivity reflects the importance of many-body effects among the water molecules in aqueous ionic solutions. Comparison with quantum mechanical calculations shows that a heterogeneous and extended distribution of charges on water molecules around the ions due to ion-water and also water-water charge transfer plays a very important role in controlling water diffusivity. Explicit inclusion of the charge transfer allows us to model accurately the difference in the concentration-dependent water diffusivity between Na{sup +} and K{sup +} ions in simulations, and it is likely to impact modeling of a wide range of systems for medical and technological applications.

Charge separation and transfer in hybrid type II tunneling structures of CdTe and CdSe nanocrystals

Energy Technology Data Exchange (ETDEWEB)

Gross, Dieter Konrad Michael

2013-11-08

Closely packed nanocrystal systems have been investigated in this thesis with respect to charge separation by charge carrier tunneling. Clustered and layered samples have been analyzed using PL-measurements and SPV-methods. The most important findings are reviewed in the following. A short outlook is also provided for potential further aspects and application of the presented results. The main purpose of this thesis was to find and quantify electronic tunneling transfer in closely packed self-assembled nanocrystal structures presenting quantum mechanical barriers of about 1 nm width. We successfully used hybrid assemblies of CdTe and CdSe nanocrystals where the expected type II alignment between CdTe and CdSe typically leads to a concentration of electrons in CdSe and holes in CdTe nanocrystals. We were able to prove the charge selectivity of the CdTe-CdSe nanocrystal interface which induces charge separation. We mainly investigated the effects related to the electron transfer from CdTe to CdSe nanocrystals. Closely packing was achieved by two independent methods: the disordered colloidal clustering in solution and the layered assembly on dry glass substrates. Both methods lead to an inter-particle distance of about 1 nm of mainly organic material which acts as a tunneling barrier. PL-spectroscopy was applied. The PL-quenching of the CdTe nanocrystals in hybrid assemblies indicates charge separation by electron transfer from CdTe to CdSe nanocrystals. A maximum quenching rate of up to 1/100 ps was measured leading to a significant global PL-quenching of up to about 70 % for the CdTe nanocrystals. It was shown that charge separation dynamics compete with energy transfer dynamics and that charge separation typically dominates. The quantum confinement effect was used to tune the energetic offset between the CdTe and CdSe nanocrystals. We thus observe a correlation of PL-quenching and offset of the energy states for the electron transfer. The investigated PL

Charge separation and transfer in hybrid type II tunneling structures of CdTe and CdSe nanocrystals

International Nuclear Information System (INIS)

Gross, Dieter Konrad Michael

2013-01-01

Closely packed nanocrystal systems have been investigated in this thesis with respect to charge separation by charge carrier tunneling. Clustered and layered samples have been analyzed using PL-measurements and SPV-methods. The most important findings are reviewed in the following. A short outlook is also provided for potential further aspects and application of the presented results. The main purpose of this thesis was to find and quantify electronic tunneling transfer in closely packed self-assembled nanocrystal structures presenting quantum mechanical barriers of about 1 nm width. We successfully used hybrid assemblies of CdTe and CdSe nanocrystals where the expected type II alignment between CdTe and CdSe typically leads to a concentration of electrons in CdSe and holes in CdTe nanocrystals. We were able to prove the charge selectivity of the CdTe-CdSe nanocrystal interface which induces charge separation. We mainly investigated the effects related to the electron transfer from CdTe to CdSe nanocrystals. Closely packing was achieved by two independent methods: the disordered colloidal clustering in solution and the layered assembly on dry glass substrates. Both methods lead to an inter-particle distance of about 1 nm of mainly organic material which acts as a tunneling barrier. PL-spectroscopy was applied. The PL-quenching of the CdTe nanocrystals in hybrid assemblies indicates charge separation by electron transfer from CdTe to CdSe nanocrystals. A maximum quenching rate of up to 1/100 ps was measured leading to a significant global PL-quenching of up to about 70 % for the CdTe nanocrystals. It was shown that charge separation dynamics compete with energy transfer dynamics and that charge separation typically dominates. The quantum confinement effect was used to tune the energetic offset between the CdTe and CdSe nanocrystals. We thus observe a correlation of PL-quenching and offset of the energy states for the electron transfer. The investigated PL

Charge separation and transfer in hybrid type II tunneling structures of CdTe and CdSe nanocrystals

Energy Technology Data Exchange (ETDEWEB)

Gross, Dieter Konrad Michael

2013-11-08

Closely packed nanocrystal systems have been investigated in this thesis with respect to charge separation by charge carrier tunneling. Clustered and layered samples have been analyzed using PL-measurements and SPV-methods. The most important findings are reviewed in the following. A short outlook is also provided for potential further aspects and application of the presented results. The main purpose of this thesis was to find and quantify electronic tunneling transfer in closely packed self-assembled nanocrystal structures presenting quantum mechanical barriers of about 1 nm width. We successfully used hybrid assemblies of CdTe and CdSe nanocrystals where the expected type II alignment between CdTe and CdSe typically leads to a concentration of electrons in CdSe and holes in CdTe nanocrystals. We were able to prove the charge selectivity of the CdTe-CdSe nanocrystal interface which induces charge separation. We mainly investigated the effects related to the electron transfer from CdTe to CdSe nanocrystals. Closely packing was achieved by two independent methods: the disordered colloidal clustering in solution and the layered assembly on dry glass substrates. Both methods lead to an inter-particle distance of about 1 nm of mainly organic material which acts as a tunneling barrier. PL-spectroscopy was applied. The PL-quenching of the CdTe nanocrystals in hybrid assemblies indicates charge separation by electron transfer from CdTe to CdSe nanocrystals. A maximum quenching rate of up to 1/100 ps was measured leading to a significant global PL-quenching of up to about 70 % for the CdTe nanocrystals. It was shown that charge separation dynamics compete with energy transfer dynamics and that charge separation typically dominates. The quantum confinement effect was used to tune the energetic offset between the CdTe and CdSe nanocrystals. We thus observe a correlation of PL-quenching and offset of the energy states for the electron transfer. The investigated PL

On the Action of the Radiation Field Generated by a Traveling-Wave Element and Its Connection to the Time Energy Uncertainty Principle, Elementary Charge and the Fine Structure Constant

Directory of Open Access Journals (Sweden)

Vernon Cooray

2017-02-01

Full Text Available Recently, we published two papers in this journal. One of the papers dealt with the action of the radiation fields generated by a traveling-wave element and the other dealt with the momentum transferred by the same radiation fields and their connection to the time energy uncertainty principle. The traveling-wave element is defined as a conductor through which a current pulse propagates with the speed of light in free space from one end of the conductor to the other without attenuation. The goal of this letter is to combine the information provided in these two papers together and make conclusive statements concerning the connection between the energy dissipated by the radiation fields, the time energy uncertainty principle and the elementary charge. As we will show here, the results presented in these two papers, when combined together, show that the time energy uncertainty principle can be applied to the classical radiation emitted by a traveling-wave element and it results in the prediction that the smallest charge associated with the current that can be detected using radiated energy as a vehicle is on the order of the elementary charge. Based on the results, an expression for the fine structure constant is obtained. This is the first time that an order of magnitude estimation of the elementary charge based on electromagnetic radiation fields is obtained. Even though the results obtained in this paper have to be considered as order of magnitude estimations, a strict interpretation of the derived equations shows that the fine structure constant or the elementary charge may change as the size or the age of the universe increases.

Momentum transfer in relativistic heavy ion charge-exchange reactions

Science.gov (United States)

Townsend, L. W.; Wilson, J. W.; Khan, F.; Khandelwal, G. S.

1991-01-01

Relativistic heavy ion charge-exchange reactions yield fragments (Delta-Z = + 1) whose longitudinal momentum distributions are downshifted by larger values than those associated with the remaining fragments (Delta-Z = 1, -2,...). Kinematics alone cannot account for the observed downshifts; therefore, an additional contribution from collision dynamics must be included. In this work, an optical model description of collision momentum transfer is used to estimate the additional dynamical momentum downshift. Good agreement between theoretical estimates and experimental data is obtained.

Observation of excited state charge transfer with fs/ps-CARS

International Nuclear Information System (INIS)

Blom, Alex Jason

2009-01-01

Excited state charge transfer processes are studied using the fs/ps-CARS probe technique. This probe allows for multiplexed detection of Raman active vibrational modes. Systems studied include Michler's Ketone, Coumarin 120, 4-dimethylamino-4(prime)-nitrostilbene, and several others. The vibrational spectrum of the para di-substituted benzophenone Michler's Ketone in the first excited singlet state is studied for the first time. It is found that there are several vibrational modes indicative of structural changes of the excited molecule. A combined experimental and theoretical approach is used to study the simplest 7-amino-4-methylcoumarin, Coumarin 120. Vibrations observed in FTIR and spontaneous Raman spectra are assigned using density functional calculations and a continuum solvation model is used to predict how observed modes are affected upon inclusion of a solvent. The low frequency modes of the excited state charge transfer species 4-dimethylamino-4(prime)-nitrostilbene are studied in acetonitrile. Results are compared to previous work on this molecule in the fingerprint region. Finally, several partially completed projects and their implications are discussed. These include the two photon absorption of Coumarin 120, nanoconfinement in cyclodextrin cavities and sensitization of titania nanoparticles

Observation of excited state charge transfer with fs/ps-CARS

Energy Technology Data Exchange (ETDEWEB)

Blom, Alex Jason [Iowa State Univ., Ames, IA (United States)

2009-01-01

Excited state charge transfer processes are studied using the fs/ps-CARS probe technique. This probe allows for multiplexed detection of Raman active vibrational modes. Systems studied include Michler's Ketone, Coumarin 120, 4-dimethylamino-4'-nitrostilbene, and several others. The vibrational spectrum of the para di-substituted benzophenone Michler's Ketone in the first excited singlet state is studied for the first time. It is found that there are several vibrational modes indicative of structural changes of the excited molecule. A combined experimental and theoretical approach is used to study the simplest 7-amino-4-methylcoumarin, Coumarin 120. Vibrations observed in FTIR and spontaneous Raman spectra are assigned using density functional calculations and a continuum solvation model is used to predict how observed modes are affected upon inclusion of a solvent. The low frequency modes of the excited state charge transfer species 4-dimethylamino-4{prime}-nitrostilbene are studied in acetonitrile. Results are compared to previous work on this molecule in the fingerprint region. Finally, several partially completed projects and their implications are discussed. These include the two photon absorption of Coumarin 120, nanoconfinement in cyclodextrin cavities and sensitization of titania nanoparticles.

Role of charged particle irradiations in the study of radiation damage correlation

International Nuclear Information System (INIS)

Ishino, S.; Sekimura, N.

1990-01-01

Charged particle irradiations were originally expected to provide means to simulate the effect of neutron irradiations. However, it has been recognized that quantitative and sometimes even qualitative simulation of neutron radiation damage is difficult and the role of the charged particle irradiations has shifted to establishing fission-fusion correlation based on fundamental understanding of the radiation damage phenomena. The authors have been studying radiation effects in fusion materials using energetic ions from the latter standpoint. In this paper, the authors review recent results using a heavy-ion/electron microscope link facility together with sets of small heavy ion and light ion accelerators on cascade damage produced by energetic primary recoils and on the effect of helium on microstructural and microchemical evolution. Some of the other applications of the ion accelerators will also be mentioned. (orig.)

IPRT polarized radiative transfer model intercomparison project - Three-dimensional test cases (phase B)

Science.gov (United States)

Emde, Claudia; Barlakas, Vasileios; Cornet, Céline; Evans, Frank; Wang, Zhen; Labonotte, Laurent C.; Macke, Andreas; Mayer, Bernhard; Wendisch, Manfred

2018-04-01

Initially unpolarized solar radiation becomes polarized by scattering in the Earth's atmosphere. In particular molecular scattering (Rayleigh scattering) polarizes electromagnetic radiation, but also scattering of radiation at aerosols, cloud droplets (Mie scattering) and ice crystals polarizes. Each atmospheric constituent produces a characteristic polarization signal, thus spectro-polarimetric measurements are frequently employed for remote sensing of aerosol and cloud properties. Retrieval algorithms require efficient radiative transfer models. Usually, these apply the plane-parallel approximation (PPA), assuming that the atmosphere consists of horizontally homogeneous layers. This allows to solve the vector radiative transfer equation (VRTE) efficiently. For remote sensing applications, the radiance is considered constant over the instantaneous field-of-view of the instrument and each sensor element is treated independently in plane-parallel approximation, neglecting horizontal radiation transport between adjacent pixels (Independent Pixel Approximation, IPA). In order to estimate the errors due to the IPA approximation, three-dimensional (3D) vector radiative transfer models are required. So far, only a few such models exist. Therefore, the International Polarized Radiative Transfer (IPRT) working group of the International Radiation Commission (IRC) has initiated a model intercomparison project in order to provide benchmark results for polarized radiative transfer. The group has already performed an intercomparison for one-dimensional (1D) multi-layer test cases [phase A, 1]. This paper presents the continuation of the intercomparison project (phase B) for 2D and 3D test cases: a step cloud, a cubic cloud, and a more realistic scenario including a 3D cloud field generated by a Large Eddy Simulation (LES) model and typical background aerosols. The commonly established benchmark results for 3D polarized radiative transfer are available at the IPRT website (http

The description of charge transfer in fast negative ions scattering on water covered Si(100) surfaces

Energy Technology Data Exchange (ETDEWEB)

Chen, Lin; Qiu, Shunli; Liu, Pinyang; Xiong, Feifei; Lu, Jianjie; Liu, Yuefeng; Li, Guopeng; Liu, Yiran; Ren, Fei; Xiao, Yunqing; Gao, Lei; Zhao, Qiushuang; Ding, Bin; Li, Yuan [School of Nuclear Science and Technology, Lanzhou University, 730000 (China); Key Laboratory of Special Function Materials and Structure Design, Ministry of Education, Lanzhou University, 730000 (China); Guo, Yanling, E-mail: guoyanling@lzu.edu.cn [School of Nuclear Science and Technology, Lanzhou University, 730000 (China); Key Laboratory of Special Function Materials and Structure Design, Ministry of Education, Lanzhou University, 730000 (China); Chen, Ximeng, E-mail: chenxm@lzu.edu.cn [School of Nuclear Science and Technology, Lanzhou University, 730000 (China); Key Laboratory of Special Function Materials and Structure Design, Ministry of Education, Lanzhou University, 730000 (China)

2016-11-30

Highlights: • We first observe that negative-ion fractions present no variation with the doping concentration, which is very different from the results of low energy Li neutralization from doped Si samples. • Our work shows that the affinity levels and collision time significantly counteract the band gap effect on negative ion formation. The work will improve our understanding on electron transfer on semiconductor surfaces associated with doping. • In addition, we build a complete theoretical framework to quantitatively calculate the negative-ion fractions. • Our work is related to charge transfer on semiconductor surfaces, which will be of interest to a broad audience due to the wide necessity of the knowledge of charge exchange on semiconductor surfaces in different fields. - Abstract: Doping has significantly affected the characteristics and performance of semiconductor electronic devices. In this work, we study the charge transfer processes for 8.5–22.5 keV C{sup −} and F{sup −} ions scattering on H{sub 2}O-terminated p-type Si(100) surfaces with two different doping concentrations. We find that doping has no influence on negative-ion formation for fast collisions in this relatively high energy range. Moreover, we build a model to calculate negative ion fractions including the contribution from positive ions. The calculations support the nonadiabatic feature of charge transfer.

Charge transport properties of CdMnTe radiation detectors

Energy Technology Data Exchange (ETDEWEB)

Kim K.; Rafiel, R.; Boardman, M.; Reinhard, I.; Sarbutt, A.; Watt, G.; Watt, C.; Uxa, S.; Prokopovich, D.A.; Belas, E.; Bolotnikov, A.E.; James, R.B.

2012-04-11

Growth, fabrication and characterization of indium-doped cadmium manganese telluride (CdMnTe)radiation detectors have been described. Alpha-particle spectroscopy measurements and time resolved current transient measurements have yielded an average charge collection efficiency approaching 100 %. Spatially resolved charge collection efficiency maps have been produced for a range of detector bias voltages. Inhomogeneities in the charge transport of the CdMnTe crystals have been associated with chains of tellurium inclusions within the detector bulk. Further, it has been shown that the role of tellurium inclusions in degrading chargecollection is reduced with increasing values of bias voltage. The electron transit time was determined from time of flight measurements. From the dependence of drift velocity on applied electric field the electron mobility was found to be n = (718 55) cm2/Vs at room temperature.

Free Thyroid Transfer: A Novel Procedure to Prevent Radiation-induced Hypothyroidism

International Nuclear Information System (INIS)

Harris, Jeffrey; Almarzouki, Hani; Barber, Brittany; Scrimger, Rufus; Romney, Jacques; O'Connell, Daniel; Urken, Mark; Seikaly, Hadi

2016-01-01

Purpose: The incidence of hypothyroidism after radiation therapy for head and neck cancer (HNC) has been found to be ≤53%. Medical treatment of hypothyroidism can be costly and difficult to titrate. The aim of the present study was to assess the feasibility of free thyroid transfer as a strategy for the prevention of radiation-induced damage to the thyroid gland during radiation therapy for HNC. Methods and Materials: A prospective feasibility study was performed involving 10 patients with a new diagnosis of advanced HNC undergoing ablative surgery, radial forearm free-tissue transfer reconstruction, and postoperative adjuvant radiation therapy. During the neck dissection, hemithyroid dissection was completed with preservation of the thyroid arterial and venous supply for implantation into the donor forearm site. All patients underwent a diagnostic thyroid technetium scan 6 weeks and 12 months postoperatively to examine the functional integrity of the transferred thyroid tissue. Results: Free thyroid transfer was executed in 9 of the 10 recruited patients with advanced HNC. The postoperative technetium scans demonstrated strong uptake of technetium at the forearm donor site at 6 weeks and 12 months for all 9 of the transplanted patients. Conclusions: The thyroid gland can be transferred as a microvascular free transfer with maintenance of function. This technique could represent a novel strategy for maintenance of thyroid function after head and neck irradiation.

Free Thyroid Transfer: A Novel Procedure to Prevent Radiation-induced Hypothyroidism

Energy Technology Data Exchange (ETDEWEB)

Harris, Jeffrey [Division of Otolaryngology-Head and Neck Surgery, Department of Surgery, University of Alberta, Edmonton, Alberta (Canada); Almarzouki, Hani [Division of Otolaryngology-Head and Neck Surgery, Department of Surgery, University of Alberta, Edmonton, Alberta (Canada); Department of Otolaryngology-Head and Neck Surgery, King Abdulaziz University, Jeddah (Saudi Arabia); Barber, Brittany, E-mail: brittanybarber0@gmail.com [Division of Otolaryngology-Head and Neck Surgery, Department of Surgery, University of Alberta, Edmonton, Alberta (Canada); Scrimger, Rufus [Division of Radiation Oncology, Department of Oncology, University of Alberta, Edmonton, Alberta (Canada); Romney, Jacques [Division of Endocrinology and Metabolism, Department of Medicine, University of Alberta, Edmonton, Alberta (Canada); O' Connell, Daniel [Division of Otolaryngology-Head and Neck Surgery, Department of Surgery, University of Alberta, Edmonton, Alberta (Canada); Urken, Mark [Institute for Head and Neck and Thyroid Cancers, Icahn School of Medicine, Mount Sinai Hospital, New York, New York (United States); Seikaly, Hadi [Division of Otolaryngology-Head and Neck Surgery, Department of Surgery, University of Alberta, Edmonton, Alberta (Canada)

2016-09-01

Purpose: The incidence of hypothyroidism after radiation therapy for head and neck cancer (HNC) has been found to be ≤53%. Medical treatment of hypothyroidism can be costly and difficult to titrate. The aim of the present study was to assess the feasibility of free thyroid transfer as a strategy for the prevention of radiation-induced damage to the thyroid gland during radiation therapy for HNC. Methods and Materials: A prospective feasibility study was performed involving 10 patients with a new diagnosis of advanced HNC undergoing ablative surgery, radial forearm free-tissue transfer reconstruction, and postoperative adjuvant radiation therapy. During the neck dissection, hemithyroid dissection was completed with preservation of the thyroid arterial and venous supply for implantation into the donor forearm site. All patients underwent a diagnostic thyroid technetium scan 6 weeks and 12 months postoperatively to examine the functional integrity of the transferred thyroid tissue. Results: Free thyroid transfer was executed in 9 of the 10 recruited patients with advanced HNC. The postoperative technetium scans demonstrated strong uptake of technetium at the forearm donor site at 6 weeks and 12 months for all 9 of the transplanted patients. Conclusions: The thyroid gland can be transferred as a microvascular free transfer with maintenance of function. This technique could represent a novel strategy for maintenance of thyroid function after head and neck irradiation.

Best estimate radiation heat transfer model developed for TRAC-BD1

International Nuclear Information System (INIS)

Spore, J.W.; Giles, M.M.; Shumway, R.W.

1981-01-01

A best estimate radiation heat transfer model for analysis of BWR fuel bundles has been developed and compared with 8 x 8 fuel bundle data. The model includes surface-to-surface and surface-to-two-phase fluid radiation heat transfer. A simple method of correcting for anisotropic reflection effects has been included in the model

Charge Transfer in Collisions of S^4+ with H.

Science.gov (United States)

Stancil, P. C.; Turner, A. R.; Cooper, D. L.; Schultz, D. R.; Rakovic, M. J.; Fritsch, W.; Zygelman, B.

2001-05-01

Charge transfer processes due to collisions of ground state S^4+ ions with atomic hydrogen were investigated for energies between 1 meV/u and 10 MeV/u using the quantum-mechanical molecular-orbital close-coupling (MOCC), atomic-orbital close-coupling, classical trajectory Monte Carlo (CTMC), and continuum distorted wave methods. The MOCC calculations utilized ab initio adiabatic potentials and nonadiabatic radial coupling matrix elements obtained with the spin-coupled valence-bond approach. A number of variants of the CTMC approach were explored, including different momentum and radial distributions for the initial state, as well as effective charge and quantum-defect models to determine the corresponding quantum state after capture into final partially-stripped S^3+ excited classical states. Hydrogen target isotope effects were explored and rate coefficients for temperatures between 100 and 10^6 K will be presented

Charge transfer in proton-hydrogen collisions under Debye plasma

Energy Technology Data Exchange (ETDEWEB)

Bhattacharya, Arka [Department of Mathematics, Burdwan University, Golapbag, Burdwan 713 104, West Bengal (India); Kamali, M. Z. M. [Centre for Foundation Studies in Science, University of Malaya, 50603 Kuala Lumpur (Malaysia); Ghoshal, Arijit, E-mail: arijit98@yahoo.com [Department of Mathematics, Burdwan University, Golapbag, Burdwan 713 104, West Bengal (India); Department of Mathematics, Kazi Nazrul University, B.C.W. Campus, Asansol 713 304, West Bengal (India); Institute of Mathematical Sciences, Faculty of Science, University of Malaya, 50603 Kuala Lumpur (Malaysia); Ratnavelu, K. [Department of Mathematics, Kazi Nazrul University, B.C.W. Campus, Asansol 713 304, West Bengal (India)

2015-02-15

The effect of plasma environment on the 1s → nlm charge transfer, for arbitrary n, l, and m, in proton-hydrogen collisions has been investigated within the framework of a distorted wave approximation. The effect of external plasma has been incorporated using Debye screening model of the interacting charge particles. Making use of a simple variationally determined hydrogenic wave function, it has been possible to obtain the scattering amplitude in closed form. A detailed study has been made to investigate the effect of external plasma environment on the differential and total cross sections for electron capture into different angular momentum states for the incident energy in the range of 20–1000 keV. For the unscreened case, our results are in close agreement with some of the most accurate results available in the literature.

DNA Damage by Ionizing Radiation: Tandem Double Lesions by Charged Particles

Science.gov (United States)

Huo, Winifred M.; Chaban, Galina M.; Wang, Dunyou; Dateo, Christopher E.

2005-01-01

Oxidative damages by ionizing radiation are the source of radiation-induced carcinogenesis, damage to the central nervous system, lowering of the immune response, as well as other radiation-induced damages to human health. Monte Carlo track simulations and kinetic modeling of radiation damages to the DNA employ available molecular and cellular data to simulate the biological effect of high and low LET radiation io the DNA. While the simulations predict single and double strand breaks and base damages, so far all complex lesions are the result of stochastic coincidence from independent processes. Tandem double lesions have not yet been taken into account. Unlike the standard double lesions that are produced by two separate attacks by charged particles or radicals, tandem double lesions are produced by one single attack. The standard double lesions dominate at the high dosage regime. On the other hand, tandem double lesions do not depend on stochastic coincidences and become important at the low dosage regime of particular interest to NASA. Tandem double lesions by hydroxyl radical attack of guanine in isolated DNA have been reported at a dosage of radiation as low as 10 Gy. The formation of two tandem base lesions was found to be linear with the applied doses, a characteristic of tandem lesions. However, tandem double lesions from attack by a charged particle have not been reported.

Electronic, structural and chemical effects of charge-transfer at organic/inorganic interfaces

Science.gov (United States)

Otero, R.; Vázquez de Parga, A. L.; Gallego, J. M.

2017-07-01

During the last decade, interest on the growth and self-assembly of organic molecular species on solid surfaces spread over the scientific community, largely motivated by the promise of cheap, flexible and tunable organic electronic and optoelectronic devices. These efforts lead to important advances in our understanding of the nature and strength of the non-bonding intermolecular interactions that control the assembly of the organic building blocks on solid surfaces, which have been recently reviewed in a number of excellent papers. To a large extent, such studies were possible because of a smart choice of model substrate-adsorbate systems where the molecule-substrate interactions were purposefully kept low, so that most of the observed supramolecular structures could be understood simply by considering intermolecular interactions, keeping the role of the surface always relatively small (although not completely negligible). On the other hand, the systems which are more relevant for the development of organic electronic devices include molecular species which are electron donors, acceptors or blends of donors and acceptors. Adsorption of such organic species on solid surfaces is bound to be accompanied by charge-transfer processes between the substrate and the adsorbates, and the physical and chemical properties of the molecules cannot be expected any longer to be the same as in solution phase. In recent years, a number of groups around the world have started tackling the problem of the adsorption, self- assembly and electronic and chemical properties of organic species which interact rather strongly with the surface, and for which charge-transfer must be considered. The picture that is emerging shows that charge transfer can lead to a plethora of new phenomena, from the development of delocalized band-like electron states at molecular overlayers, to the existence of new substrate-mediated intermolecular interactions or the strong modification of the chemical

Graphene-assisted near-field radiative heat transfer between corrugated polar materials

International Nuclear Information System (INIS)

Liu, X. L.; Zhang, Z. M.

2014-01-01

Graphene has attracted great attention in nanoelectronics, optics, and energy harvesting. Here, the near-field radiative heat transfer between graphene-covered corrugated silica is investigated based on the exact scattering theory. It is found that graphene can improve the radiative heat flux between silica gratings by more than one order of magnitude and alleviate the performance sensitivity to lateral shift. The underlying mechanism is mainly attributed to the improved photon tunneling of modes away from phonon resonances. Besides, coating with graphene leads to nonlocal radiative transfer that breaks Derjaguin's proximity approximation and enables corrugated silica to outperform bulk silica in near-field radiation.

Microchip-calorimetry of organic charge transfer complex which shows superconductivity at low temperatures

Energy Technology Data Exchange (ETDEWEB)

Muraoka, Yuki [Department of Chemistry, Graduate School of Science, Osaka University, Machikaneyama 1-1, Toyonaka, Osaka 560-0043 (Japan); Yamashita, Satoshi [RIKEN, Hirosawa 2-1, Wako, Saitama 351-0198 (Japan); Yamamoto, Takashi [Department of Chemistry, Graduate School of Science, Osaka University, Machikaneyama 1-1, Toyonaka, Osaka 560-0043 (Japan); Nakazawa, Yasuhiro, E-mail: nakazawa@chem.sci.osaka-u.ac.jp [Department of Chemistry, Graduate School of Science, Osaka University, Machikaneyama 1-1, Toyonaka, Osaka 560-0043 (Japan); Institute for Molecular Science, Nishigonaka 38, Myodaiji, Okazaki 444-8585 (Japan)

2012-03-20

Highlights: Black-Right-Pointing-Pointer Organic charge transfer salt of {kappa}-(BEDT-TTF){sub 2}Cu[N(CN){sub 2}]Br shows superconductivity. Black-Right-Pointing-Pointer We succeeded to detect thermal anomaly microchip device TCG3880. Black-Right-Pointing-Pointer Development details of the calorimeter and the detection system is presented. Black-Right-Pointing-Pointer The magnetic fields dependence shows typical character of layered superconductor. - Abstract: We carried out thermodynamic measurements of organic charge transfer complex of {kappa}-(BEDT-TTF){sub 2}Cu[N(CN){sub 2}]Br, where BEDT-TTF is bis(ethylenedithio)tetrathiafulvalene by TCG3880 chip device in order to examine capability of the chip calorimeter at low temperature region and under magnetic fields. TCG3880 chip is mounted on a {sup 3}He cryostat available in combination with a superconductive magnet up to 7 T. Thermal anomalies related to the glass-like freezing of ethylene groups of BEDT-TTF molecules and the superconductive transition were observed. A frequency dependence of the thermal anomaly of the glass formation and a magnetic fields dependence of the thermal anomaly of the superconductive transition are reported. The results presented in this work demonstrate that the TCG3880 is quite useful for thermodynamic investigations of the organic charge transfer complex with much reduced sample quantity as compared with those of relaxation and adiabatic calorimetry.

Doping graphene films via chemically mediated charge transfer

Directory of Open Access Journals (Sweden)

Ishikawa Ryousuke

2011-01-01

Full Text Available Abstract Transparent conductive films (TCFs are critical components of a myriad of technologies including flat panel displays, light-emitting diodes, and solar cells. Graphene-based TCFs have attracted a lot of attention because of their high electrical conductivity, transparency, and low cost. Carrier doping of graphene would potentially improve the properties of graphene-based TCFs for practical industrial applications. However, controlling the carrier type and concentration of dopants in graphene films is challenging, especially for the synthesis of p-type films. In this article, a new method for doping graphene using the conjugated organic molecule, tetracyanoquinodimethane (TCNQ, is described. Notably, TCNQ is well known as a powerful electron accepter and is expected to favor electron transfer from graphene into TCNQ molecules, thereby leading to p-type doping of graphene films. Small amounts of TCNQ drastically improved the resistivity without degradation of optical transparency. Our carrier doping method based on charge transfer has a huge potential for graphene-based TCFs.

Charge-transfer mobility and electrical conductivity of PANI as conjugated organic semiconductors.

Science.gov (United States)

Zhang, Yahong; Duan, Yuping; Song, Lulu; Zheng, Daoyuan; Zhang, Mingxing; Zhao, Guangjiu

2017-09-21

The intramolecular charge transfer properties of a phenyl-end-capped aniline tetramer (ANIH) and a chloro-substituted derivative (ANICl) as organic semiconductors were theoretically studied through the first-principles calculation based on the Marcus-Hush theory. The reorganization energies, intermolecular electronic couplings, angular resolution anisotropic mobilities, and density of states of the two crystals were evaluated. The calculated results demonstrate that both ANIH and ANICl crystals show the higher electron transfer mobilities than the hole-transfer mobilities, which means that the two crystals should prefer to function as n-type organic semiconductors. Furthermore, the angle dependence mobilities of the two crystals show remarkable anisotropic character. The maximum mobility μ max of ANIH and ANICl crystals is 1.3893 and 0.0272 cm 2 V -1 s -1 , which appear at the orientation angles near 176°/356° and 119°/299° of a conducting channel on the a-b reference plane. It is synthetically evaluated that the ANIH crystal possesses relatively lower reorganization energy, higher electronic coupling, and electron transfer mobility, which means that the ANIH crystal may be the more ideal candidate as a high performance n-type organic semiconductor material. The systematic theoretical studies on organic crystals should be conducive to evaluating the charge-transport properties and designing higher performance organic semiconductor materials.

Reduced Charge Transfer Exciton Recombination in Organic Semiconductor Heterojunctions by Molecular Doping

NARCIS (Netherlands)

Deschler, Felix; Da Como, Enrico; Limmer, Thomas; Tautz, Raphael; Godde, Tillmann; Bayer, Manfred; von Hauff, Elizabeth; Yilmaz, Seyfullah; Allard, Sybille; Scherf, Ullrich; Feldmann, Jochen

2011-01-01

We investigate the effect of molecular doping on the recombination of electrons and holes localized at conjugated-polymer–fullerene interfaces. We demonstrate that a low concentration of p-type dopant molecules (<4% weight) reduces the interfacial recombination via charge transfer excitons and

An insight into the mechanism of charge-transfer of hybrid polymer:ternary/quaternary chalcopyrite colloidal nanocrystals

Directory of Open Access Journals (Sweden)

Parul Chawla

2014-08-01

Full Text Available In this work, we have demonstrated the structural and optoelectronic properties of the surface of ternary/quaternary (CISe/CIGSe/CZTSe chalcopyrite nanocrystallites passivated by tri-n-octylphosphine-oxide (TOPO and tri-n-octylphosphine (TOP and compared their charge transfer characteristics in the respective polymer: chalcopyrite nanocomposites by dispersing them in poly(3-hexylthiophene polymer. It has been found that CZTSe nanocrystallites due to their high crystallinity and well-ordered 3-dimensional network in its pristine form exhibit a higher steric- and photo-stability, resistance against coagulation and homogeneity compared to the CISe and CIGSe counterparts. Moreover, CZTSe nanocrystallites display efficient photoluminescence quenching as evident from the high value of the Stern–Volmer quenching constant (KSV and eventually higher charge transfer efficiency in their respective polymer P3HT:CZTSe composites. We modelled the dependency of the charge transfer from the donor and the charge separation mechanism across the donor–acceptor interface from the extent of crystallinity of the chalcopyrite semiconductors (CISe/CIGSe/CZTSe. Quaternary CZTSe chalcopyrites with their high crystallinity and controlled morphology in conjunction with regioregular P3HT polymer is an attractive candidate for hybrid solar cells applications.

An insight into the mechanism of charge-transfer of hybrid polymer:ternary/quaternary chalcopyrite colloidal nanocrystals.

Science.gov (United States)

Chawla, Parul; Singh, Son; Sharma, Shailesh Narain

2014-01-01

In this work, we have demonstrated the structural and optoelectronic properties of the surface of ternary/quaternary (CISe/CIGSe/CZTSe) chalcopyrite nanocrystallites passivated by tri-n-octylphosphine-oxide (TOPO) and tri-n-octylphosphine (TOP) and compared their charge transfer characteristics in the respective polymer: chalcopyrite nanocomposites by dispersing them in poly(3-hexylthiophene) polymer. It has been found that CZTSe nanocrystallites due to their high crystallinity and well-ordered 3-dimensional network in its pristine form exhibit a higher steric- and photo-stability, resistance against coagulation and homogeneity compared to the CISe and CIGSe counterparts. Moreover, CZTSe nanocrystallites display efficient photoluminescence quenching as evident from the high value of the Stern-Volmer quenching constant (K SV) and eventually higher charge transfer efficiency in their respective polymer P3HT:CZTSe composites. We modelled the dependency of the charge transfer from the donor and the charge separation mechanism across the donor-acceptor interface from the extent of crystallinity of the chalcopyrite semiconductors (CISe/CIGSe/CZTSe). Quaternary CZTSe chalcopyrites with their high crystallinity and controlled morphology in conjunction with regioregular P3HT polymer is an attractive candidate for hybrid solar cells applications.

The HZE radiation problem. [highly-charged energetic galactic cosmic rays

Science.gov (United States)

Schimmerling, Walter

1990-01-01

Radiation-exposure limits have yet to be established for missions envisioned in the framework of the Space Exploration Initiative. The radiation threat outside the earth's magnetosphere encompasses protons from solar particle events and the highly charged energetic particles constituting galactic cosmic rays; radiation biology entails careful consideration of the extremely nonuniform patterns of such particles' energy deposition. The ability to project such biological consequences of exposure to energetic particles as carcinogenicity currently involves great uncertainties from: (1) different regions of space; (2) the effects of spacecraft structures; and (3) the dose-effect relationships of single traversals of energetic particles.

Collective charge and mass transfer in heavy ion reactions

International Nuclear Information System (INIS)

Hahn, J.

1982-01-01

In this thesis the dynamics of the charge and mass asymmetry degree of freedom was studied in the framework of the fragmentation theory by means of a time-dependent Schroedinger equation. New is the introduction of a friction potential which describes the coupling of these collective degrees of freedom to the not explicitely treated other collective respectively internal degrees of freedom. Thereby it was shown that the measured widths of the isobaric charge distributions in the 86 Kr+sup(92,98)Mo reaction can be explained mainly by the quantum mechanical uncertainty in the charge asymmetry degree of freedom. The charge equilibration occurring at the begin of a deep inelastic collision can therefore by considered as a quantum mechanical, collective, damped motion which is connected with the excitation of the isovector giant dipole resonance of the nucleus-nucleus system. The study of the mass transfer in the reactions 132 Xe+ 120 Sn and 86 Kr+ 166 Er shows, how important at the begin of a deep inelastic collision shell structures and their conservation are for a large part of the reaction, even if the elemental distribution show no maxima in the region of magic shell closures. The experimental width are up to 10 MeV/A well described under conservation of the shell structure. (orig./HSI) [de

Coil Design for High Misalignment Tolerant Inductive Power Transfer System for EV Charging

Directory of Open Access Journals (Sweden)

Kafeel Ahmed Kalwar

2016-11-01

Full Text Available The inductive power transfer (IPT system for electric vehicle (EV charging has acquired more research interest in its different facets. However, the misalignment tolerance between the charging coil (installed in the ground and pick-up coil (mounted on the car chassis, has been a challenge and fundamental interest in the future market of EVs. This paper proposes a new coil design QDQ (Quad D Quadrature that maintains the high coupling coefficient and efficient power transfer during reasonable misalignment. The QDQ design makes the use of four adjacent circular coils and one square coil, for both charging and pick-up side, to capture the maximum flux at any position. The coil design has been modeled in JMAG software for calculation of inductive parameters using the finite element method (FEM, and its hardware has been tested experimentally at various misaligned positions. The QDQ coils are shown to be capable of achieving good coupling coefficient and high efficiency of the system until the misalignment displacement reaches 50% of the employed coil size.

Radiation by moving charges

Energy Technology Data Exchange (ETDEWEB)

Geloni, Gianluca [European XFEL GmbH, Hamburg (Germany); Kocharyan, Vitali; Saldin, Evgeni [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)

2017-04-15

It is generally accepted that in order to describe the dynamics of relativistic particles in the laboratory (lab) frame it is sufficient to take into account the relativistic dependence of the particle momenta on the velocity. This solution of the dynamics problem in the lab frame makes no reference to Lorentz transformations. For this reason they are not discussed in particle tracking calculations in accelerator and plasma physics. It is generally believed that the electrodynamics problem can be treated within the same ''single inertial frame'' description without reference to Lorentz transformations. In particular, in order to evaluate radiation fields arising from charged particles in motion we need to know their velocities and positions as a function of the lab frame time t. The relativistic motion of a particle in the lab frame is described by Newton's second law ''corrected'' for the relativistic dependence of momentum on velocity. It is assumed in all standard derivations that one can perform identification of the trajectories in the source part of the usual Maxwell's equations with the trajectories vector x(t) measured (or calculated by using the corrected Newton's second law) in the lab frame. This way of coupling fields and particles is considered since more than a century as the relativistically correct procedure.We argue that this procedure needs to be changed, and we demonstrate the following, completely counterintuitive statement: the results of conventional theory of radiation by relativistically moving charges are not consistent with the principle of relativity. In order to find the trajectory of a particle in the lab frame consistent with the usual Maxwell's equations, one needs to solve the dynamic equation inmanifestly covariant form by using the coordinate-independent proper time τ to parameterize the particle world-line in space-time. We show that there is a difference between &apos

A model for the chain-to-plane charge transfer in YBa2Cu3O6+x

International Nuclear Information System (INIS)

Matic, V. M.; Lazarov, N. Dj.; Milic, M.

2012-01-01

A model for the chain-to-plane charge transfer is proposed to account for the two plateaus, at 60 K and at 90 K, of the T c (x) characteristics of the YBa 2 Cu 3 O 6+x high-T c superconductor. It is assumed that the number of holes transferred from a CuO chain of length l to two nearby CuO 2 sheets is proportional to l (that is, to the number of oxygen atoms in the chain), if the chain length is greater than, or equal to, a certain critical chain length, l cr , that is required to trigger the charge transfer process. No holes are assumed to have been transferred from chains of length l cr . The calculated T c (x) dependence is found to be in excellent agreement with the experimentally reported T c (x). The critical chain length parameter is estimated to be equal to l cr = 11 (eleven oxygen atoms in a chain), which is a greater value than that obtained in the previously proposed model for the chain-to-plane charge transfer (l cr = 4). The results obtained out of the proposed model are briefly discussed

Oxidation and metal-insertion in molybdenite surfaces: evaluation of charge-transfer mechanisms and dynamics

Directory of Open Access Journals (Sweden)

Shutthanandan V

2008-06-01

Full Text Available Abstract Molybdenum disulfide (MoS2, a layered transition-metal dichalcogenide, has been of special importance to the research community of geochemistry, materials and environmental chemistry, and geotechnical engineering. Understanding the oxidation behavior and charge-transfer mechanisms in MoS2 is important to gain better insight into the degradation of this mineral in the environment. In addition, understanding the insertion of metals into molybdenite and evaluation of charge-transfer mechanism and dynamics is important to utilize these minerals in technological applications. Furthermore, a detailed investigation of thermal oxidation behavior and metal-insertion will provide a basis to further explore and model the mechanism of adsorption of metal ions onto geomedia. The present work was performed to understand thermal oxidation and metal-insertion processes of molybdenite surfaces. The analysis was performed using atomic force microscopy (AFM, scanning electron microscopy (SEM, transmission electron microscopy (TEM, Rutherford backscattering spectrometry (RBS, and nuclear reaction analysis (NRA. Structural studies using SEM and TEM indicate the local-disordering of the structure as a result of charge-transfer process between the inserted lithium and the molybdenite layer. Selected area electron diffraction measurements indicate the large variations in the diffusivity of lithium confirming that the charge-transfer is different along and perpendicular to the layers in molybdenite. Thermal heating of molybenite surface in air at 400°C induces surface oxidation, which is slow during the first hour of heating and then increases significantly. The SEM results indicate that the crystals formed on the molybdenite surface as a result of thermal oxidation exhibit regular thin-elongated shape. The average size and density of the crystals on the surface is dependent on the time of annealing; smaller size and high density during the first one-hour and

Oxidation and metal-insertion in molybdenite surfaces: evaluation of charge-transfer mechanisms and dynamics.

Science.gov (United States)

Ramana, C V; Becker, U; Shutthanandan, V; Julien, C M

2008-06-05

Molybdenum disulfide (MoS2), a layered transition-metal dichalcogenide, has been of special importance to the research community of geochemistry, materials and environmental chemistry, and geotechnical engineering. Understanding the oxidation behavior and charge-transfer mechanisms in MoS2 is important to gain better insight into the degradation of this mineral in the environment. In addition, understanding the insertion of metals into molybdenite and evaluation of charge-transfer mechanism and dynamics is important to utilize these minerals in technological applications. Furthermore, a detailed investigation of thermal oxidation behavior and metal-insertion will provide a basis to further explore and model the mechanism of adsorption of metal ions onto geomedia.The present work was performed to understand thermal oxidation and metal-insertion processes of molybdenite surfaces. The analysis was performed using atomic force microscopy (AFM), scanning electron microscopy (SEM), transmission electron microscopy (TEM), Rutherford backscattering spectrometry (RBS), and nuclear reaction analysis (NRA).Structural studies using SEM and TEM indicate the local-disordering of the structure as a result of charge-transfer process between the inserted lithium and the molybdenite layer. Selected area electron diffraction measurements indicate the large variations in the diffusivity of lithium confirming that the charge-transfer is different along and perpendicular to the layers in molybdenite. Thermal heating of molybenite surface in air at 400 degrees C induces surface oxidation, which is slow during the first hour of heating and then increases significantly. The SEM results indicate that the crystals formed on the molybdenite surface as a result of thermal oxidation exhibit regular thin-elongated shape. The average size and density of the crystals on the surface is dependent on the time of annealing; smaller size and high density during the first one-hour and significant

Multiconfiguration Pair-Density Functional Theory Outperforms Kohn-Sham Density Functional Theory and Multireference Perturbation Theory for Ground-State and Excited-State Charge Transfer.

Science.gov (United States)

Ghosh, Soumen; Sonnenberger, Andrew L; Hoyer, Chad E; Truhlar, Donald G; Gagliardi, Laura

2015-08-11

The correct description of charge transfer in ground and excited states is very important for molecular interactions, photochemistry, electrochemistry, and charge transport, but it is very challenging for Kohn-Sham (KS) density functional theory (DFT). KS-DFT exchange-correlation functionals without nonlocal exchange fail to describe both ground- and excited-state charge transfer properly. We have recently proposed a theory called multiconfiguration pair-density functional theory (MC-PDFT), which is based on a combination of multiconfiguration wave function theory with a new type of density functional called an on-top density functional. Here we have used MC-PDFT to study challenging ground- and excited-state charge-transfer processes by using on-top density functionals obtained by translating KS exchange-correlation functionals. For ground-state charge transfer, MC-PDFT performs better than either the PBE exchange-correlation functional or CASPT2 wave function theory. For excited-state charge transfer, MC-PDFT (unlike KS-DFT) shows qualitatively correct behavior at long-range with great improvement in predicted excitation energies.

Near-field radiative heat transfer in mesoporous alumina

International Nuclear Information System (INIS)

Li Jing; Feng Yan-Hui; Zhang Xin-Xin; Huang Cong-Liang; Wang Ge

2015-01-01

The thermal conductivity of mesoporous material has aroused the great interest of scholars due to its wide applications such as insulation, catalyst, etc. Mesoporous alumina substrate consists of uniformly distributed, unconnected cylindrical pores. Near-field radiative heat transfer cannot be ignored, when the diameters of the pores are less than the characteristic wavelength of thermal radiation. In this paper, near-field radiation across a cylindrical pore is simulated by employing the fluctuation dissipation theorem and Green function. Such factors as the diameter of the pore, and the temperature of the material are further analyzed. The research results show that the radiative heat transfer on a mesoscale is 2∼4 orders higher than on a macroscale. The heat flux and equivalent thermal conductivity of radiation across a cylindrical pore decrease exponentially with pore diameter increasing, while increase with temperature increasing. The calculated equivalent thermal conductivity of radiation is further developed to modify the thermal conductivity of the mesoporous alumina. The combined thermal conductivity of the mesoporous alumina is obtained by using porosity weighted dilute medium and compared with the measurement. The combined thermal conductivity of mesoporous silica decreases gradually with pore diameter increasing, while increases smoothly with temperature increasing, which is in good agreement with the experimental data. The larger the porosity, the more significant the near-field effect is, which cannot be ignored. (paper)

Charge Transfer Effects in Naturally Occurring van der Waals Heterostructures (PbSe )1.16(TiSe2 )m (m =1 , 2)

Science.gov (United States)

Yao, Q.; Shen, D. W.; Wen, C. H. P.; Hua, C. Q.; Zhang, L. Q.; Wang, N. Z.; Niu, X. H.; Chen, Q. Y.; Dudin, P.; Lu, Y. H.; Zheng, Y.; Chen, X. H.; Wan, X. G.; Feng, D. L.

2018-03-01

van der Waals heterostructures (VDWHs) exhibit rich properties and thus has potential for applications, and charge transfer between different layers in a heterostructure often dominates its properties and device performance. It is thus critical to reveal and understand the charge transfer effects in VDWHs, for which electronic structure measurements have proven to be effective. Using angle-resolved photoemission spectroscopy, we studied the electronic structures of (PbSe )1.16(TiSe2 )m (m =1 , 2), which are naturally occurring VDWHs, and discovered several striking charge transfer effects. When the thickness of the TiSe2 layers is halved from m =2 to m =1 , the amount of charge transferred increases unexpectedly by more than 250%. This is accompanied by a dramatic drop in the electron-phonon interaction strength far beyond the prediction by first-principles calculations and, consequently, superconductivity only exists in the m =2 compound with strong electron-phonon interaction, albeit with lower carrier density. Furthermore, we found that the amount of charge transferred in both compounds is nearly halved when warmed from below 10 K to room temperature, due to the different thermal expansion coefficients of the constituent layers of these misfit compounds. These unprecedentedly large charge transfer effects might widely exist in VDWHs composed of metal-semiconductor contacts; thus, our results provide important insights for further understanding and applications of VDWHs.

Interface charge transfer process in ZnO:Mn/ZnS nanocomposites

Energy Technology Data Exchange (ETDEWEB)

Stefan, M.; Toloman, D., E-mail: dana.toloman@itim-cj.ro; Popa, A. [National Institute for R & D of Isotopic and Molecular Technology (Romania); Mesaros, A. [Technical University of Cluj-Napoca, Superconductivity, Spintronics and Surface Science Center – C4S (Romania); Vasile, O. R. [University “Politehnica” from Bucharest, Faculty of Applied Chemistry and Material Science (Romania); Leostean, C.; Pana, O. [National Institute for R & D of Isotopic and Molecular Technology (Romania)

2016-03-15

ZnO:Mn/ZnS nanocomposites were prepared by seed-mediated growth of ZnS QDs onto the preformed ZnO:Mn nanoparticles. The formation of the nanocomposite structure has been evidenced by XRD, HRTEM, and XPS. The architecture of the nanocomposite with outer ZnS QDs around ZnO:Mn cores is sustained by the sulfur and oxygen depth profiles resulted from XPS. When the two components are brought together, the band gap of ZnS component decreases while that of ZnO:Mn increases. It is the result of interface charge transfer from ZnO:Mn to ZnS QDs. Here ZnO:Mn valence states are extended through the interface into unoccupied gap states of ZnS. The energy band setup is modified from a type II into a type I band alignment. The process is accompanied by enhancement of composite UV emission of PL spectra as compared to its counterparts. The charge transfer from valence band also determines the increase of the core-polarization effect of sshell electrons at Mn{sup 2+} nucleus, thus determining the increase of the hyperfine field through the reduction of the covalency degree of Zn(Mn)–O bonds. The quantum confinement in ZnS QDs promotes the ferromagnetic coupling of singly occupied states due to Zn vacancies determining a superparamagnetic behavior of the ensemble. When the nanocomposites are formed, due to interface charge transfer effects, an increased number of filled cation vacancies in ZnS QDs develop, thus disrupting the pre-existing ferromagnetic coupling between spins resulting in a significant reduction of the overall saturation magnetization. The possibility to modulate nanocomposite properties by controlling the interface interactions may be foreseen in these types of materials.

Total and differential charge transfer cross sections in He{sup 2+}+N{sup 4+} collisions

Energy Technology Data Exchange (ETDEWEB)

Diemar, K. von; Melchert, F.; Huber, K.; Salzborn, E. [Institut fuer Kernphysik, Universitaet Giessen, Giessen (Germany); Trassl, R. [Institut fuer Kernphysik, Universitaet Giessen, Giessen (Germany)]. E-mail: Roland.H.Trassl@strz.uni-giessen.de; Opradolce, L. [Instituto de Astronomia y Fisica del Espacio (CONICET-UBA), Buenos Aires (Argentina); Piacentini, R.D. [Instituto de Fisica Rosario (CONICET-UNR), 2000 Rosario (Argentina)

2001-02-28

Charge transfer in the collision system He{sup 2+}+N{sup 4+} has been investigated both theoretically and experimentally for centre-of-mass energies between 8 and 200 keV. The theoretical calculations of the collision process have been carried out in the semi-classical impact parameter eikonal approach expanding the electronic wavefunction in a multi-state molecular-orbital basis with translation factors. The measurements of the charge-transfer cross sections were performed at an ion-ion crossed-beams experiment. Good agreement between the calculations and the experimental results for both total and differential cross sections is obtained. (author). Letter-to-the-editor.

Charge Migration in DNA Perspectives from Physics, Chemistry, and Biology

CERN Document Server

Chakraborty, Tapash

2007-01-01

Charge migration through DNA has been the focus of considerable interest in recent years. A deeper understanding of the nature of charge transfer and transport along the double helix is important in fields as diverse as physics, chemistry and nanotechnology. It has also important implications in biology, in particular in DNA damage and repair. This book presents contributions from an international team of researchers active in this field. It contains a wide range of topics that includes the mathematical background of the quantum processes involved, the role of charge transfer in DNA radiation damage, a new approach to DNA sequencing, DNA photonics, and many others. This book should be of value to researchers in condensed matter physics, chemical physics, physical chemistry, and nanoscale sciences.

Electrosynthesis of Copper-Tetracyanoquinodimethane Based on the Coupling Charge Transfer across Water/1,2-Dichloroethane Interface

International Nuclear Information System (INIS)

Huang, Li; Li, Pei; Pamphile, Ndagijimana; Tian, Zhong-Qun; Zhan, Dongping

2014-01-01

Graphical abstract: - Highlights: • Organic semiconductor CuTCNQ is synthesized through electrochemistry of liquid/liquid interface. • A coupling charge transfer (CCT) mechanism is proposed for organic electrosynthesis. • The obtained CuTCNQ has good electrochemical and electronic properties. - Abstract: The organic salt Copper-Tetracyanoquinodimethane (CuTCNQ) is an important semiconductor used in electronics for field-effect transistors, switches and memory devices. Here we present a novel electrosynthetic method of CuTCNQ microneedles based on the coupling charge transfer across water/1,2-dichloroethane (W/1,2-DCE) interface. A HOPG electrode is covered by a small volume of 1,2-DCE solution, which is further covered by an aqueous solution to construct the W/1,2-DCE interface. When TCNQ in 1,2-DCE phase is reduced on HOPG, Cu 2+ in the aqueous solution will transfer across the W/1,2-DCE interface in order to maintain the electric neutrality. Therein CuTCNQ microneedles are formed which have good solid-state electrochemical and electronic properties. This coupling charge transfer mechanism is valuable and broadens the applications of liquid/liquid interface in organic electrosynthesis

Thermal radiation heat transfer in participating media by finite volume discretization using collimated beam incidence

Science.gov (United States)

Harijishnu, R.; Jayakumar, J. S.

2017-09-01

The main objective of this paper is to study the heat transfer rate of thermal radiation in participating media. For that, a generated collimated beam has been passed through a two dimensional slab model of flint glass with a refractive index 2. Both Polar and azimuthal angle have been varied to generate such a beam. The Temperature of the slab and Snells law has been validated by Radiation Transfer Equation (RTE) in OpenFOAM (Open Field Operation and Manipulation), a CFD software which is the major computational tool used in Industry and research applications where the source code is modified in which radiation heat transfer equation is added to the case and different radiation heat transfer models are utilized. This work concentrates on the numerical strategies involving both transparent and participating media. Since Radiation Transfer Equation (RTE) is difficult to solve, the purpose of this paper is to use existing solver buoyantSimlpeFoam to solve radiation model in the participating media by compiling the source code to obtain the heat transfer rate inside the slab by varying the Intensity of radiation. The Finite Volume Method (FVM) is applied to solve the Radiation Transfer Equation (RTE) governing the above said physical phenomena.

Electrostatic sensors applied to the measurement of electric charge transfer in gas-solids pipelines

International Nuclear Information System (INIS)

Woodhead, S R; Denham, J C; Armour-Chelu, D I

2005-01-01

This paper describes the development of a number of electric charge sensors. The sensors have been developed specifically to investigate triboelectric charge transfer which takes place between particles and the pipeline wall, when powdered materials are conveyed through a pipeline using air. A number of industrial applications exist for such gas-solids pipelines, including pneumatic conveyors, vacuum cleaners and dust extraction systems. The build-up of electric charge on pipelines and powdered materials can lead to electrostatic discharge and so is of interest from a safety viewpoint. The charging of powders can also adversely affect their mechanical handling characteristics and so is of interest to handling equipment engineers. The paper presents the design of the sensors, the design of the electric charge test rig and electric charge measurement test results

K-shell-hole production, multiple-hole production, charge transfer, and antisymmetry

International Nuclear Information System (INIS)

Reading, J.F.; Ford, A.L.

1980-01-01

In calculating K-shell-hole production when an ion collides with an atom, account must be taken of the fact that processes involving electrons other than the K-shell electron can occur. For example, after making a K-shell hole an L-shell electron may be knocked into it, or an L-shell vacancy may be produced and the K-shell electron promoted to that vacancy in the ''Fermi sea'' of the target-atom orbitals. In 1973 a theorem was proved by one of the present authors demonstrating that all these multielectron processes cancel in an independent-particle model for the target atom. In this paper it is shown that the same thing occurs for hole production by charge transfer to the ion. The authors demonstrate that multihole production does not obey this simple rule and that the probability for multihole production is not the product of independent single-electron probabilities. The correct expressions that should be used for these processes are given, together with new results for charge-transfer processes accompanied by hole production

Charge transfer in low-energy collisions of H with He+ and H+ with He in excited states

Science.gov (United States)

Loreau, J.; Ryabchenko, S.; Muñoz Burgos, J. M.; Vaeck, N.

2018-04-01

The charge transfer process in collisions of excited (n = 2, 3) hydrogen atoms with He+ and in collisions of excited helium atoms with H+ is studied theoretically. A combination of a fully quantum-mechanical method and a semi-classical approach is employed to calculate the charge-exchange cross sections at collision energies from 0.1 eV u‑1 up to 1 keV u‑1. These methods are based on accurate ab initio potential energy curves and non-adiabatic couplings for the molecular ion HeH+. Charge transfer can occur either in singlet or in triplet states, and the differences between the singlet and triplet spin manifolds are discussed. The dependence of the cross section on the quantum numbers n and l of the initial state is demonstrated. The isotope effect on the charge transfer cross sections, arising at low collision energy when H is substituted by D or T, is investigated. Rate coefficients are calculated for all isotopes up to 106 K. Finally, the impact of the present calculations on models of laboratory plasmas is discussed.

Ion beam induced charge and cathodoluminescence imaging of response uniformity of CVD diamond radiation detectors

CERN Document Server

Sellin, P J; Galbiati, A; Maghrabi, M; Townsend, P D

2002-01-01

The uniformity of response of CVD diamond radiation detectors produced from high quality diamond film, with crystallite dimensions of >100 mu m, has been studied using ion beam induced charge imaging. A micron-resolution scanning alpha particle beam was used to produce maps of pulse height response across the device. The detectors were fabricated with a single-sided coplanar electrode geometry to maximise their sensitivity to the surface region of the diamond film where the diamond crystallites are highly ordered. High resolution ion beam induced charge images of single crystallites were acquired that demonstrate variations in intra-crystallite charge transport and the termination of charge transport at the crystallite boundaries. Cathodoluminescence imaging of the same crystallites shows an inverse correlation between the density of radiative centres and regions of good charge transport.

Charge distribution effects in polyatomic reactants involved in simple electron transfer reactions

Czech Academy of Sciences Publication Activity Database

Fawcett, W. R.; Chavis, G. J.; Hromadová, Magdaléna

2008-01-01

Roč. 53, č. 23 (2008), s. 6787-6792 ISSN 0013-4686 Institutional research plan: CEZ:AV0Z40400503 Keywords : electron transfer kinetics * charge distribution effects * double - layer effects in electrode kinetics Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.078, year: 2008

Extraordinary Mechanism of the Diels-Alder Reaction: Investigation of Stereochemistry, Charge Transfer, Charge Polarization, and Biradicaloid Formation.

Science.gov (United States)

Sexton, Thomas; Kraka, Elfi; Cremer, Dieter

2016-02-25

The Diels-Alder reaction between 1,3-butadiene and ethene is investigated from far-out in the entrance channel to the very last step in the exit channel thus passing two bifurcation points and extending the range of the reaction valley studied with URVA (Unified Reaction Valley Approach) by 300% compared to previous studies. For the first time, the pre- and postchemical steps of the reaction are analyzed at the same level of theory as the actual chemical processes utilizing the path curvature and its decomposition into internal coordinate or curvilinear coordinate components. A first smaller charge transfer to the dienophile facilitates the rotation of gauche butadiene into its cis form. The actual chemical processes are initiated by a second larger charge transfer to the dienophile that facilitates pyramidalization of the reacting carbon centers, bond equalization, and biradicaloid formation of the reactants. The transition state is aromatically stabilized and moved by five path units into the entrance channel in line with the Hammond-Leffler postulate. The pseudorotation of the boat form into the halfchair of cyclohexene is analyzed. Predictions are made for the Diels-Alder reaction based on a 11-phase mechanism obtained by the URVA analysis.

Multiscale solutions of radiative heat transfer by the discrete unified gas kinetic scheme

Science.gov (United States)

Luo, Xiao-Ping; Wang, Cun-Hai; Zhang, Yong; Yi, Hong-Liang; Tan, He-Ping

2018-06-01

The radiative transfer equation (RTE) has two asymptotic regimes characterized by the optical thickness, namely, optically thin and optically thick regimes. In the optically thin regime, a ballistic or kinetic transport is dominant. In the optically thick regime, energy transport is totally dominated by multiple collisions between photons; that is, the photons propagate by means of diffusion. To obtain convergent solutions to the RTE, conventional numerical schemes have a strong dependence on the number of spatial grids, which leads to a serious computational inefficiency in the regime where the diffusion is predominant. In this work, a discrete unified gas kinetic scheme (DUGKS) is developed to predict radiative heat transfer in participating media. Numerical performances of the DUGKS are compared in detail with conventional methods through three cases including one-dimensional transient radiative heat transfer, two-dimensional steady radiative heat transfer, and three-dimensional multiscale radiative heat transfer. Due to the asymptotic preserving property, the present method with relatively coarse grids gives accurate and reliable numerical solutions for large, small, and in-between values of optical thickness, and, especially in the optically thick regime, the DUGKS demonstrates a pronounced computational efficiency advantage over the conventional numerical models. In addition, the DUGKS has a promising potential in the study of multiscale radiative heat transfer inside the participating medium with a transition from optically thin to optically thick regimes.

Benchmark results in radiative transfer

International Nuclear Information System (INIS)

Garcia, R.D.M.; Siewert, C.E.

1986-02-01

Several aspects of the F N method are reported, and the method is used to solve accurately some benchmark problems in radiative transfer in the field of atmospheric physics. The method was modified to solve cases of pure scattering and an improved process was developed for computing the radiation intensity. An algorithms for computing several quantities used in the F N method was done. An improved scheme to evaluate certain integrals relevant to the method is done, and a two-term recursion relation that has proved useful for the numerical evaluation of matrix elements, basic for the method, is given. The methods used to solve the encountered linear algebric equations are discussed, and the numerical results are evaluated. (M.C.K.) [pt

Density functional theory for the description of charge-transfer processes at TTF/TCNQ interfaces

KAUST Repository

Van Regemorter, Tanguy; Guillaume, Maxime; Sini, Gjergji; Sears, John S.; Geskin, Victor; Bré das, Jean-Luc; Beljonne, David; Cornil, Jé rô me

2012-01-01

In the field of organic electronics, a central issue is to assess how the frontier electronic levels of two adjacent organic layers align with respect to one another at the interface. This alignment can be driven by the presence of a partial charge transfer and the formation of an interface dipole; it plays a key role for instance in determining the rates of exciton dissociation or exciton formation in organic solar cells or light-emitting diodes, respectively. Reliably modeling the processes taking place at these interfaces remains a challenge for the computational chemistry community. Here, we review our recent theoretical work on the influence of the choice of density functional theory (DFT) methodology on the description of the charge-transfer character in the ground state of TTF/ TCNQ model complexes and interfaces. Starting with the electronic properties of the isolated TTF and TCNQ molecules and then considering the charge transfer and resulting interface dipole in TTF/TCNQ donor-acceptor stacks and bilayers, we examine the impact of the choice of DFT functional in describing the interfacial electronic structure. Finally, we employ computations based on periodic boundary conditions to highlight the impact of depolarization effects on the interfacial dipole moment. © Springer-Verlag 2012.

Overcoming the Cut-Off Charge Transfer Bandgaps at the PbS Quantum Dot Interface

KAUST Repository

El-Ballouli, Ala'a O.

2015-11-17

Light harvesting from large size of semiconductor PbS quantum dots (QDs) with a bandgap of less than 1 eV is one of the greatest challenges precluding the development of PbS QD-based solar cells because the interfacial charge transfer (CT) from such QDs to the most commonly used electron acceptor materials is very inefficient, if it occurs at all. Thus, an alternative electron-accepting unit with a new driving force for CT is urgently needed to harvest the light from large-sized PbS QDs. Here, a cationic porphyrin is utilized as a new electron acceptor unit with unique features that bring the donor–acceptor components into close molecular proximity, allowing ultrafast and efficient electron transfer for QDs of all sizes, as inferred from the drastic photoluminescence quenching and the ultrafast formation of the porphyrin anionic species. The time-resolved results clearly demonstrate the possibility of modulating the electron transfer process between PbS QDs and porphyrin moieties not only by the size quantization effect but also by the interfacial electrostatic interaction between the positively charged porphyrin and the negatively charged QDs. This approach provides a new pathway for engineering QD-based solar cells that make the best use of the diverse photons making up the Sun\\'s broad irradiance spectrum.

Density functional theory for the description of charge-transfer processes at TTF/TCNQ interfaces

KAUST Repository

Van Regemorter, Tanguy

2012-09-15

In the field of organic electronics, a central issue is to assess how the frontier electronic levels of two adjacent organic layers align with respect to one another at the interface. This alignment can be driven by the presence of a partial charge transfer and the formation of an interface dipole; it plays a key role for instance in determining the rates of exciton dissociation or exciton formation in organic solar cells or light-emitting diodes, respectively. Reliably modeling the processes taking place at these interfaces remains a challenge for the computational chemistry community. Here, we review our recent theoretical work on the influence of the choice of density functional theory (DFT) methodology on the description of the charge-transfer character in the ground state of TTF/ TCNQ model complexes and interfaces. Starting with the electronic properties of the isolated TTF and TCNQ molecules and then considering the charge transfer and resulting interface dipole in TTF/TCNQ donor-acceptor stacks and bilayers, we examine the impact of the choice of DFT functional in describing the interfacial electronic structure. Finally, we employ computations based on periodic boundary conditions to highlight the impact of depolarization effects on the interfacial dipole moment. © Springer-Verlag 2012.

Overcoming the Cut-Off Charge Transfer Bandgaps at the PbS Quantum Dot Interface

KAUST Repository

El-Ballouli, Ala'a O.; Alarousu, Erkki; Kirmani, Ahmad R.; Amassian, Aram; Bakr, Osman; Mohammed, Omar F.

2015-01-01

Light harvesting from large size of semiconductor PbS quantum dots (QDs) with a bandgap of less than 1 eV is one of the greatest challenges precluding the development of PbS QD-based solar cells because the interfacial charge transfer (CT) from such QDs to the most commonly used electron acceptor materials is very inefficient, if it occurs at all. Thus, an alternative electron-accepting unit with a new driving force for CT is urgently needed to harvest the light from large-sized PbS QDs. Here, a cationic porphyrin is utilized as a new electron acceptor unit with unique features that bring the donor–acceptor components into close molecular proximity, allowing ultrafast and efficient electron transfer for QDs of all sizes, as inferred from the drastic photoluminescence quenching and the ultrafast formation of the porphyrin anionic species. The time-resolved results clearly demonstrate the possibility of modulating the electron transfer process between PbS QDs and porphyrin moieties not only by the size quantization effect but also by the interfacial electrostatic interaction between the positively charged porphyrin and the negatively charged QDs. This approach provides a new pathway for engineering QD-based solar cells that make the best use of the diverse photons making up the Sun's broad irradiance spectrum.

"Inverted" Solvent Effect on Charge Transfer in the Excited State.

Science.gov (United States)

Nau; Pischel

1999-10-04

Faster in cyclohexane than in acetonitrile is the fluorescence quenching of the azoalkane 2,3-diazabicyclo[2.2.2]oct-2-ene (DBO) by amines and sulfides. Although this photoreaction is induced by charge transfer (CT; see picture) and exciplexes are formed, the increase in the dipole moment of the exciplex is not large enough to offset the solvent stabilization of the excited reactants, and an "inverted" solvent effect results.

Charge Transfer and Support Effects in Heterogeneous Catalysis

Energy Technology Data Exchange (ETDEWEB)

Hervier, Antoine [Univ. of California, Berkeley, CA (United States)

2011-12-21

The kinetic, electronic and spectroscopic properties of two-dimensional oxide-supported catalysts were investigated in order to understand the role of charge transfer in catalysis. Pt/TiO₂ nanodiodes were fabricated and used as catalysts for hydrogen oxidation. During the reaction, the current through the diode, as well as its I-V curve, were monitored, while gas chromatography was used to measure the reaction rate. The current and the turnover rate were found to have the same temperature dependence, indicating that hydrogen oxidation leads to the non-adiabatic excitation of electrons in Pt. A fraction of these electrons have enough energy to ballistically transport through Pt and overcome the Schottky barrier at the interface with TiO₂. The yield for this phenomenon is on the order of 10^-4 electrons per product molecule formed, similar to what has been observed for CO oxidation and for the adsorption of many different molecules. The same Pt/TiO₂ system was used to compare currents in hydrogen oxidation and deuterium oxidation. The current through the diode under deuterium oxidation was found to be greater than under hydrogen oxidation by a factor of three. Weighted by the difference in turnover frequencies for the two isotopes, this would imply a chemicurrent yield 5 times greater for D₂ compared to H₂, contrary to what is expected given the higher mass of D₂. Reversible changes in the rectification factor of the diode are observed when switching between D₂ and H₂. These changes are a likely cause for the differences in current between the two isotopes. In the nanodiode experiments, surface chemistry leads to charge flow, suggesting the possibility of creating charge flow to tune surface chemistry. This was done first by exposing a Pt/Si diode to visible light while using it as a catalyst for H₂ oxidation. Absorption of the light in the Si, combined with

Near-field radiative heat transfer between metasurfaces

DEFF Research Database (Denmark)

Dai, Jin; Dyakov, Sergey A.; Bozhevolnyi, Sergey I.

2016-01-01

Metamaterials possess artificial bulk and surface electromagnetic states. Tamed dispersion properties of surface waves allow one to achieve a controllable super-Planckian radiative heat transfer (RHT) process between two closely spaced objects. We numerically demonstrate enhanced RHT between two...... and highly geometrically tailorable. Our simulation also reveals thermally excited nonresonant surface waves in constituent metallic materials may play a prevailing role for RHT at an extremely small separation between two metal plates, rendering metamaterial modes insignificant for the energy-transfer...

Amino-Acid-Induced Preferential Orientation of Perovskite Crystals for Enhancing Interfacial Charge Transfer and Photovoltaic Performance.

Science.gov (United States)

Shih, Yen-Chen; Lan, Yu-Bing; Li, Chia-Shuo; Hsieh, Hsiao-Chi; Wang, Leeyih; Wu, Chih-I; Lin, King-Fu

2017-06-01

Interfacial engineering of perovskite solar cells (PSCs) is attracting intensive attention owing to the charge transfer efficiency at an interface, which greatly influences the photovoltaic performance. This study demonstrates the modification of a TiO 2 electron-transporting layer with various amino acids, which affects charge transfer efficiency at the TiO 2 /CH 3 NH 3 PbI 3 interface in PSC, among which the l-alanine-modified cell exhibits the best power conversion efficiency with 30% enhancement. This study also shows that the (110) plane of perovskite crystallites tends to align in the direction perpendicular to the amino-acid-modified TiO 2 as observed in grazing-incidence wide-angle X-ray scattering of thin CH 3 NH 3 PbI 3 perovskite film. Electrochemical impedance spectroscopy reveals less charge transfer resistance at the TiO 2 /CH 3 NH 3 PbI 3 interface after being modified with amino acids, which is also supported by the lower intensity of steady-state photoluminescence (PL) and the reduced PL lifetime of perovskite. In addition, based on the PL measurement with excitation from different side of the sample, amino-acid-modified samples show less surface trapping effect compared to the sample without modification, which may also facilitate charge transfer efficiency at the interface. The results suggest that appropriate orientation of perovskite crystallites at the interface and trap-passivation are the niche for better photovoltaic performance. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Neutralized ion beam modification of cellulose membranes for study of ion charge effect on ion-beam-induced DNA transfer

Science.gov (United States)

Prakrajang, K.; Sangwijit, K.; Anuntalabhochai, S.; Wanichapichart, P.; Yu, L. D.

2012-02-01

Low-energy ion beam biotechnology (IBBT) has recently been rapidly developed worldwide. Ion-beam-induced DNA transfer is one of the important applications of IBBT. However, mechanisms involved in this application are not yet well understood. In this study plasma-neutralized ion beam was applied to investigate ion charge effect on induction of DNA transfer. Argon ion beam at 7.5 keV was neutralized by RF-driven plasma in the beam path and then bombarded cellulose membranes which were used as the mimetic plant cell envelope. Electrical properties such as impedance and capacitance of the membranes were measured after the bombardment. An in vitro experiment on plasmid DNA transfer through the cellulose membrane was followed up. The results showed that the ion charge input played an important role in the impedance and capacitance changes which would affect DNA transfer. Generally speaking, neutral particle beam bombardment of biologic cells was more effective in inducing DNA transfer than charged ion beam bombardment.

Scientific Computation Application Partnerships in Materials and Chemical Sciences, Charge Transfer and Charge Transport in Photoactivated Systems, Developing Electron-Correlated Methods for Excited State Structure and Dynamics in the NWChem Software Suite

Energy Technology Data Exchange (ETDEWEB)

Cramer, Christopher J. [Univ. of Minnesota, Minneapolis, MN (United States)

2017-11-12

Charge transfer and charge transport in photoactivated systems are fundamental processes that underlie solar energy capture, solar energy conversion, and photoactivated catalysis, both organometallic and enzymatic. We developed methods, algorithms, and software tools needed for reliable treatment of the underlying physics for charge transfer and charge transport, an undertaking with broad applicability to the goals of the fundamental-interaction component of the Department of Energy Office of Basic Energy Sciences and the exascale initiative of the Office of Advanced Scientific Computing Research.

Through space and through bridge channels of charge transfer at p-n nano-junctions: A DFT study

Energy Technology Data Exchange (ETDEWEB)

Dandu, Naveen [Department of Chemistry and Biochemistry, NDSU, Fargo, ND 58108 (United States); Tretiak, Sergei [Theoretical Division, Center for Nonlinear Studies (CNLS) and Center for Integrated Nanotechnologies (CINT), Los Alamos National Laboratory, Los Alamos, 57069, NM 87454 (United States); Kilina, Svetlana [Department of Chemistry and Biochemistry, NDSU, Fargo, ND 58108 (United States); Kilin, Dmitri, E-mail: Dmitri.Kilin@ndsu.edu [Department of Chemistry and Biochemistry, NDSU, Fargo, ND 58108 (United States)

2016-12-20

Highlights: • Properties of interacting QDs depend on the fashion of interaction: through-bond or through-space. • The disconnected and undoped dimer models shows FÓ§rster band formation. • Dimer models with some doping exhibit degenerate charge-transfer excitons. • p- and n-doped qds shows polarization at the interface. • A photoexcitation polarizes p-n interface, in relation to phototovoltaic effect. - Abstract: Details of charge density distribution at p-n nano interface are analyzed with density functional theory techniques using model system of dimers of doped silicon quantum dots interacting through bond and through space. Spatial distributions of transition densities between the ground and excited states suggest the character of essential electronic excitations, which have a FÓ§rster, bound, unbound, or charge transfer character. A redistribution of electronic density from n-impurities to p-impurities results in a ground state polarization and creates an offset of energies of the bands localized on p-doped quantum dot and the bands localized on n-doped quantum dot. Although impurities contribute very few orbitals to the total density, a ground state charge redistribution and polarization are both responsible for the presence of a large number of charge transfer excitations involving solely silicon orbitals.

Ultrafast dynamics of solvation and charge transfer in a DNA-based biomaterial.

Science.gov (United States)

Choudhury, Susobhan; Batabyal, Subrata; Mondol, Tanumoy; Sao, Dilip; Lemmens, Peter; Pal, Samir Kumar

2014-05-01

Charge migration along DNA molecules is a key factor for DNA-based devices in optoelectronics and biotechnology. The association of a significant amount of water molecules in DNA-based materials for the intactness of the DNA structure and their dynamic role in the charge-transfer (CT) dynamics is less documented in contemporary literature. In the present study, we have used a genomic DNA-cetyltrimethyl ammonium chloride (CTMA) complex, a technological important biomaterial, and Hoechest 33258 (H258), a well-known DNA minor groove binder, as fluorogenic probe for the dynamic solvation studies. The CT dynamics of CdSe/ZnS quantum dots (QDs; 5.2 nm) embedded in the as-prepared and swollen biomaterial have also been studied and correlated with that of the timescale of solvation. We have extended our studies on the temperature-dependent CT dynamics of QDs in a nanoenvironment of an anionic, sodium bis(2-ethylhexyl)sulfosuccinate reverse micelle (AOT RMs), whereby the number of water molecules and their dynamics can be tuned in a controlled manner. A direct correlation of the dynamics of solvation and that of the CT in the nanoenvironments clearly suggests that the hydration barrier within the Arrhenius framework essentially dictates the charge-transfer dynamics. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Spectral tuning of near-field radiative heat transfer by graphene-covered metasurfaces

Science.gov (United States)

Zheng, Zhiheng; Wang, Ao; Xuan, Yimin

2018-03-01

When two gratings are respectively covered by a layer of graphene sheet, the near-field radiative heat transfer between two parallel gratings made of silica (SiO2) could be greatly improved. As the material properties of doped silicon (n-type doping concentration is 1020 cm-3, marked as Si-20) and SiO2 differ greatly, we theoretically investigate the near-field radiative heat transfer between two parallel graphene-covered gratings made of Si-20 to explore some different phenomena, especially for modulating the spectral properties. The radiative heat flux between two parallel bulks made of Si-20 can be enhanced by using gratings instead of bulks. When the two gratings are respectively covered by a layer of graphene sheet, the radiative heat flux between two gratings made of Si-20 can be further enhanced. By tuning graphene chemical potential μ and grating filling factor f, due to the interaction between surface plasmon polaritons (SPPs) of graphene sheets and grating structures, the spectral properties of the radiative heat flux between two parallel graphene-covered gratings can be effectively regulated. This work will develop and supplement the effects of materials on the near-field radiative heat transfer for this kind of system configuration, paving a way to modulate the spectral properties of near-field radiative heat transfer.

Refrigerant charge, pressure drop, and condensation heat transfer in flattened tubes

Energy Technology Data Exchange (ETDEWEB)

Wilson, M J; Newell, T A; Chato, J C [University of Illinois, Urbana, IL (United States). Dept. of Mechanical and Industrial Engineering; Infante Ferreira, C A [Delft University of Technology (Netherlands). Laboratory for Refrigeration and Indoor Climate Control

2003-06-01

Horizontal smooth and microfinned copper tubes with an approximate diameter of 9 mm were successively flattened in order to determine changes in flow field characteristics as a round tube is altered into a flattened tube profile. Refrigerants R134a and R410A were investigated over a mass flux range from 75 to 400 kg m{sup -2} s{sup -}2{sup 1} and a quality range from approximately 10-80%. For a given refrigerant mass flow rate, the results show that a significant reduction in refrigerant charge is possible. Pressure drop results show increases of pressure drop at a given mass flux and quality as a tube profile is flattened. Heat transfer results indicate enhancement of the condensation heat transfer coefficient as a tube is flattened. Flattened tubes with an 18{sup o} helix angle displayed the highest heat transfer coefficients. Smooth tubes and axial microfin tubes displayed similar levels of heat transfer enhancement. Heat transfer enhancement is dependent on the mass flux, quality and tube profile. (author)

Highly mobile charge-transfer excitons in two-dimensional WS2/tetracene heterostructures

Science.gov (United States)

Zhu, Tong; Yuan, Long; Zhao, Yan; Zhou, Mingwei; Wan, Yan; Mei, Jianguo; Huang, Libai

2018-01-01

Charge-transfer (CT) excitons at heterointerfaces play a critical role in light to electricity conversion using organic and nanostructured materials. However, how CT excitons migrate at these interfaces is poorly understood. We investigate the formation and transport of CT excitons in two-dimensional WS2/tetracene van der Waals heterostructures. Electron and hole transfer occurs on the time scale of a few picoseconds, and emission of interlayer CT excitons with a binding energy of ~0.3 eV has been observed. Transport of the CT excitons is directly measured by transient absorption microscopy, revealing coexistence of delocalized and localized states. Trapping-detrapping dynamics between the delocalized and localized states leads to stretched-exponential photoluminescence decay with an average lifetime of ~2 ns. The delocalized CT excitons are remarkably mobile with a diffusion constant of ~1 cm2 s−1. These highly mobile CT excitons could have important implications in achieving efficient charge separation. PMID:29340303

Quasi-four-body treatment of charge transfer in the collision of protons with atomic helium: I. Thomas related mechanisms

Science.gov (United States)

Safarzade, Zohre; Fathi, Reza; Shojaei Akbarabadi, Farideh; Bolorizadeh, Mohammad A.

2018-04-01

The scattering of a completely bare ion by atoms larger than hydrogen is at least a four-body interaction, and the charge transfer channel involves a two-step process. Amongst the two-step interactions of the high-velocity single charge transfer in an anion-atom collision, there is one whose amplitude demonstrates a peak in the angular distribution of the cross sections. This peak, the so-called Thomas peak, was predicted by Thomas in a two-step interaction, classically, which could also be described through three-body quantum mechanical models. This work discusses a four-body quantum treatment of the charge transfer in ion-atom collisions, where two-step interactions illustrating a Thomas peak are emphasized. In addition, the Pauli exclusion principle is taken into account for the initial and final states as well as the operators. It will be demonstrated that there is a momentum condition for each two-step interaction to occur in a single charge transfer channel, where new classical interactions lead to the Thomas mechanism.

Scattering of Non-Relativistic Charged Particles by Electromagnetic Radiation

Science.gov (United States)

Apostol, M.

2017-11-01

The cross-section is computed for non-relativistic charged particles (like electrons and ions) scattered by electromagnetic radiation confined to a finite region (like the focal region of optical laser beams). The cross-section exhibits maxima at scattering angles given by the energy and momentum conservation in multi-photon absorption or emission processes. For convenience, a potential scattering is included and a comparison is made with the well-known Kroll-Watson scattering formula. The scattering process addressed in this paper is distinct from the process dealt with in previous studies, where the scattering is immersed in the radiation field.

Theoretical perspectives on electron transfer and charge separation events in photochemical water cleavage systems

International Nuclear Information System (INIS)

Kozak, J.J.; Lenoir, P.M.; Musho, M.K.; Tembe, B.L.

1984-01-01

We study in this paper the dynamics induced by models for photochemical water cleavage systems, focusing on the spatial and temporal factors influencing electron transfer and charge separation processes in such systems. The reaction-diffusion theory is formulated in full generality and the consequences explored in a number of spatio-temporal regimes, viz. the spatially homogeneous system in the long-time limit (i.e. the steady state for a well-stirred system), the spatially homogeneous system in evolution, and the spatially inhomogeneous system in evolution (where, in the latter study, we consider electron transfer at the cluster surface to be governed by a rate constant that reflects the localized nature of such processes). The results of numerical simulations are presented for all three cases and used to highlight the importance of heterogeneous environments in enhancing the cage escape yield of charge separated species, and to demonstrate the dependence of the hydrogen yield on the localization of electron-transfer processes in the vicinity of the microcatalyst surface

An accurate and linear-scaling method for calculating charge-transfer excitation energies and diabatic couplings

Energy Technology Data Exchange (ETDEWEB)

Pavanello, Michele [Department of Chemistry, Rutgers University, Newark, New Jersey 07102-1811 (United States); Van Voorhis, Troy [Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139-4307 (United States); Visscher, Lucas [Amsterdam Center for Multiscale Modeling, VU University, De Boelelaan 1083, 1081 HV Amsterdam (Netherlands); Neugebauer, Johannes [Theoretische Organische Chemie, Organisch-Chemisches Institut der Westfaelischen Wilhelms-Universitaet Muenster, Corrensstrasse 40, 48149 Muenster (Germany)

2013-02-07

Quantum-mechanical methods that are both computationally fast and accurate are not yet available for electronic excitations having charge transfer character. In this work, we present a significant step forward towards this goal for those charge transfer excitations that take place between non-covalently bound molecules. In particular, we present a method that scales linearly with the number of non-covalently bound molecules in the system and is based on a two-pronged approach: The molecular electronic structure of broken-symmetry charge-localized states is obtained with the frozen density embedding formulation of subsystem density-functional theory; subsequently, in a post-SCF calculation, the full-electron Hamiltonian and overlap matrix elements among the charge-localized states are evaluated with an algorithm which takes full advantage of the subsystem DFT density partitioning technique. The method is benchmarked against coupled-cluster calculations and achieves chemical accuracy for the systems considered for intermolecular separations ranging from hydrogen-bond distances to tens of Angstroms. Numerical examples are provided for molecular clusters comprised of up to 56 non-covalently bound molecules.

Excited State Structural Dynamics of Carotenoids and ChargeTransfer Systems

Energy Technology Data Exchange (ETDEWEB)

Van Tassle, Aaron Justin [Univ. of California, Berkeley, CA (United States)

2006-01-01

This dissertation describes the development andimplementation of a visible/near infrared pump/mid-infrared probeapparatus. Chapter 1 describes the background and motivation ofinvestigating optically induced structural dynamics, paying specificattention to solvation and the excitation selection rules of highlysymmetric molecules such as carotenoids. Chapter 2 describes thedevelopment and construction of the experimental apparatus usedthroughout the remainder of this dissertation. Chapter 3 will discuss theinvestigation of DCM, a laser dye with a fluorescence signal resultingfrom a charge transfer state. By studying the dynamics of DCM and of itsmethyl deuterated isotopomer (an otherwise identical molecule), we areable to investigate the origins of the charge transfer state and provideevidence that it is of the controversial twisted intramolecular (TICT)type. Chapter 4 introduces the use of two-photon excitation to the S1state, combined with one-photon excitation to the S2 state of thecarotenoid beta-apo-8'-carotenal. These 2 investigations show evidencefor the formation of solitons, previously unobserved in molecular systemsand found only in conducting polymers Chapter 5 presents an investigationof the excited state dynamics of peridinin, the carotenoid responsiblefor the light harvesting of dinoflagellates. This investigation allowsfor a more detailed understanding of the importance of structuraldynamics of carotenoids in light harvesting.

Non-grey benchmark results for two temperature non-equilibrium radiative transfer

International Nuclear Information System (INIS)

Su, B.; Olson, G.L.

1999-01-01

Benchmark solutions to time-dependent radiative transfer problems involving non-equilibrium coupling to the material temperature field are crucial for validating time-dependent radiation transport codes. Previous efforts on generating analytical solutions to non-equilibrium radiative transfer problems were all restricted to the one-group grey model. In this paper, a non-grey model, namely the picket-fence model, is considered for a two temperature non-equilibrium radiative transfer problem in an infinite medium. The analytical solutions, as functions of space and time, are constructed in the form of infinite integrals for both the diffusion description and transport description. These expressions are evaluated numerically and the benchmark results are generated. The asymptotic solutions for large and small times are also derived in terms of elementary functions and are compared with the exact results. Comparisons are given between the transport and diffusion solutions and between the grey and non-grey solutions. (Copyright (c) 1999 Elsevier Science B.V., Amsterdam. All rights reserved.)

A 1D radiative transfer benchmark with polarization via doubling and adding

Science.gov (United States)

Ganapol, B. D.

2017-11-01

Highly precise numerical solutions to the radiative transfer equation with polarization present a special challenge. Here, we establish a precise numerical solution to the radiative transfer equation with combined Rayleigh and isotropic scattering in a 1D-slab medium with simple polarization. The 2-Stokes vector solution for the fully discretized radiative transfer equation in space and direction derives from the method of doubling and adding enhanced through convergence acceleration. Updates to benchmark solutions found in the literature to seven places for reflectance and transmittance as well as for angular flux follow. Finally, we conclude with the numerical solution in a partially randomly absorbing heterogeneous medium.

Principles of the radiosity method versus radiative transfer for canopy reflectance modeling

Science.gov (United States)

Gerstl, Siegfried A. W.; Borel, Christoph C.

1992-01-01

The radiosity method is introduced to plant canopy reflectance modeling. We review the physics principles of the radiosity method which originates in thermal radiative transfer analyses when hot and cold surfaces are considered within a given enclosure. The radiosity equation, which is an energy balance equation for discrete surfaces, is described and contrasted with the radiative transfer equation, which is a volumetric energy balance equation. Comparing the strengths and weaknesses of the radiosity method and the radiative transfer method, we conclude that both methods are complementary to each other. Results of sample calculations are given for canopy models with up to 20,000 discrete leaves.

Exciplex: An Intermolecular Charge-Transfer Approach for TADF.

Science.gov (United States)

Sarma, Monima; Wong, Ken-Tsung

2018-04-03

Organic materials that display thermally activated delayed fluorescence (TADF) are a striking class of functional materials that have witnessed a booming progress in recent years. In addition to pure TADF emitters achieved by the subtle manipulations of intramolecular charge transfer processes with sophisticated molecular structures, a new class of efficient TADF-based OLEDs with emitting layer formed by blending electron donor and acceptor molecules that involve intermolecular charge transfer have also been fabricated. In contrast to pure TADF materials, the exciplex-based systems can realize small ΔEST (0-0.05 eV) much more easily since the electron and hole are positioned on two different molecules, thereby giving small exchange energy. Consequently, exciplex-based OLEDs have the prospective to maximize the TADF contribution and achieve theoretical 100% internal quantum efficiency. Therefore, the challenging issue of achieving small ΔEST in organic systems could be solved. In this article, we summarize and discuss the latest and most significant developments regarding these rapidly evolving functional materials, wherein the majority of the reported exciplex forming systems are categorized into two sub-groups, viz. (a) exciplex as TADF emitters and (b) those as hosts for fluorescent, phosphorescent and TADF dopants according to their structural features and applications. The working mechanisms of the direct electroluminescence from the donor/acceptor interface and the exciplex-forming systems as co-host for the realization of high efficiency OLEDs are reviewed and discussed. This article delivers a summary of the current progresses and achievements of exciplex-based researches and points out the future challenges to trigger more research endeavors to this growing field.

Charge collection efficiency in a semiconductor radiation detector with a non-constant electric field

International Nuclear Information System (INIS)

Shah, K.S.; Lund, J.C.; Olschner, F.

1990-01-01

The development of improved semiconductor radiation detectors would be facilitated by a quantitative model that predicts the performance of these detectors as a function of material characteristics and device operating parameters. An accurate prediction of the pulse height spectrum from a radiation detector can be made if both the noise and the charge collection properties of the detector are understood. The noise characteristics of semiconductor radiation detectors have been extensively studied. The effect of noise can be closely simulated by convoluting the noise-free pulse height spectrum with a Gaussian function. Distortion of semiconductor detector's pulse height spectrum from charge collection effects is more complex than the effects of noise and is more difficult to predict. To compute these distortions it is necessary to know how the charge collection efficiency η varies as a function of position within the detector x. These effects are shown. This problem has been previously solved for planar detectors with a constant electric field, for the case of spherical detectors, and for coaxial detectors. In this paper the authors describe a more general solution to the charge collection problem which includes the case of a non-constant electric field in a planar geometry

Synthesis of Stable Interfaces on SnO2 Surfaces for Charge-Transfer Applications

Science.gov (United States)

Benson, Michelle C.

The commercial market for solar harvesting devices as an alternative energy source requires them to be both low-cost and efficient to replace or reduce the dependence on fossil fuel burning. Over the last few decades there has been promising efforts towards improving solar devices by using abundant and non-toxic metal oxide nanomaterials. One particular metal oxide of interest has been SnO2 due to its high electron mobility, wide-band gap, and aqueous stability. However SnO2 based solar cells have yet to reach efficiency values of other metal oxides, like TiO2. The advancement of SnO2 based devices is dependent on many factors, including improved methods of surface functionalization that can yield stable interfaces. This work explores the use of a versatile functionalization method through the use of the Cu(I)-catalyzed azide-alkyne cycloaddition (CuAAC) reaction. The CuAAC reaction is capable of producing electrochemically, photochemically, and electrocatalytically active surfaces on a variety of SnO2 materials. The resulting charge-transfer characteristics were investigated as well as an emphasis on understanding the stability of the resulting molecular linkage. We determined the CuAAC reaction is able to proceed through both azide-modified and alkyne-modified surfaces. The resulting charge-transfer properties showed that the molecular tether was capable of supporting charge separation at the interface. We also investigated the enhancement of electron injection upon the introduction of an ultra-thin ZrO2 coating on SnO2. Several complexes were used to fully understand the charge-transfer capabilities, including model systems of ferrocene and a ruthenium coordination complex, a ruthenium mononuclear water oxidation catalyst, and a commercial ruthenium based dye.

Photodissociation and charge transfer dynamics of negative ions studied with femtosecond photoelectron spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Zanni, Martin Thomas [Univ. of California, Berkeley, CA (United States)

1999-12-01

This dissertation presents studies aimed at understanding the potential energy surfaces and dynamics of isolated negative ions, and the effects of solvent on each. Although negative ions play important roles in atmospheric and solution phase chemistry, to a large extent the ground and excited state potential energy surfaces of gas phase negative ions are poorly characterized, and solvent effects even less well understood. In an effort to fill this gap, the author's coworkers and the author have developed a new technique, anion femtosecond photoelectron spectroscopy, and applied it to gas phase photodissociation and charge transfer processes. Studies are presented that (1) characterize the ground and excited states of isolated and clustered anions, (2) monitor the photodissociation dynamics of isolated and clustered anions, and (3) explore the charge-transfer-to-solvent states of atomic iodide clustered with polar and non-polar solvents.

Photodissociation and charge transfer dynamics of negative ions studied with femtosecond photoelectron spectroscopy

International Nuclear Information System (INIS)

Zanni, Martin T.

1999-01-01

This dissertation presents studies aimed at understanding the potential energy surfaces and dynamics of isolated negative ions, and the effects of solvent on each. Although negative ions play important roles in atmospheric and solution phase chemistry, to a large extent the ground and excited state potential energy surfaces of gas phase negative ions are poorly characterized, and solvent effects even less well understood. In an effort to fill this gap, the author's coworkers and the author have developed a new technique, anion femtosecond photoelectron spectroscopy, and applied it to gas phase photodissociation and charge transfer processes. Studies are presented that (1) characterize the ground and excited states of isolated and clustered anions, (2) monitor the photodissociation dynamics of isolated and clustered anions, and (3) explore the charge-transfer-to-solvent states of atomic iodide clustered with polar and non-polar solvents

Physical adsorption and charge transfer of molecular Br2 on graphene.

Science.gov (United States)

Chen, Zheyuan; Darancet, Pierre; Wang, Lei; Crowther, Andrew C; Gao, Yuanda; Dean, Cory R; Taniguchi, Takashi; Watanabe, Kenji; Hone, James; Marianetti, Chris A; Brus, Louis E

2014-03-25

We present a detailed study of gaseous Br2 adsorption and charge transfer on graphene, combining in situ Raman spectroscopy and density functional theory (DFT). When graphene is encapsulated by hexagonal boron nitride (h-BN) layers on both sides, in a h-BN/graphene/h-BN sandwich structure, it is protected from doping by strongly oxidizing Br2. Graphene supported on only one side by h-BN shows strong hole doping by adsorbed Br2. Using Raman spectroscopy, we determine the graphene charge density as a function of pressure. DFT calculations reveal the variation in charge transfer per adsorbed molecule as a function of coverage. The molecular adsorption isotherm (coverage versus pressure) is obtained by combining Raman spectra with DFT calculations. The Fowler-Guggenheim isotherm fits better than the Langmuir isotherm. The fitting yields the adsorption equilibrium constant (∼0.31 Torr(-1)) and repulsive lateral interaction (∼20 meV) between adsorbed Br2 molecules. The Br2 molecule binding energy is ∼0.35 eV. We estimate that at monolayer coverage each Br2 molecule accepts 0.09 e- from single-layer graphene. If graphene is supported on SiO2 instead of h-BN, a threshold pressure is observed for diffusion of Br2 along the (somewhat rough) SiO2/graphene interface. At high pressure, graphene supported on SiO2 is doped by adsorbed Br2 on both sides.

Active pixel sensor having intra-pixel charge transfer with analog-to-digital converter

Science.gov (United States)

Fossum, Eric R. (Inventor); Mendis, Sunetra K. (Inventor); Pain, Bedabrata (Inventor); Nixon, Robert H. (Inventor); Zhou, Zhimin (Inventor)

2003-01-01

An imaging device formed as a monolithic complementary metal oxide semiconductor integrated circuit in an industry standard complementary metal oxide semiconductor process, the integrated circuit including a focal plane array of pixel cells, each one of the cells including a photogate overlying the substrate for accumulating photo-generated charge in an underlying portion of the substrate, a readout circuit including at least an output field effect transistor formed in the substrate, and a charge coupled device section formed on the substrate adjacent the photogate having a sensing node connected to the output transistor and at least one charge coupled device stage for transferring charge from the underlying portion of the substrate to the sensing node and an analog-to-digital converter formed in the substrate connected to the output of the readout circuit.

Validation of the community radiative transfer model

International Nuclear Information System (INIS)

Ding Shouguo; Yang Ping; Weng Fuzhong; Liu Quanhua; Han Yong; Delst, Paul van; Li Jun; Baum, Bryan

2011-01-01

To validate the Community Radiative Transfer Model (CRTM) developed by the U.S. Joint Center for Satellite Data Assimilation (JCSDA), the discrete ordinate radiative transfer (DISORT) model and the line-by-line radiative transfer model (LBLRTM) are combined in order to provide a reference benchmark. Compared with the benchmark, the CRTM appears quite accurate for both clear sky and ice cloud radiance simulations with RMS errors below 0.2 K, except for clouds with small ice particles. In a computer CPU run time comparison, the CRTM is faster than DISORT by approximately two orders of magnitude. Using the operational MODIS cloud products and the European Center for Medium-range Weather Forecasting (ECMWF) atmospheric profiles as an input, the CRTM is employed to simulate the Atmospheric Infrared Sounder (AIRS) radiances. The CRTM simulations are shown to be in reasonably close agreement with the AIRS measurements (the discrepancies are within 2 K in terms of brightness temperature difference). Furthermore, the impact of uncertainties in the input cloud properties and atmospheric profiles on the CRTM simulations has been assessed. The CRTM-based brightness temperatures (BTs) at the top of the atmosphere (TOA), for both thin (τ 30) clouds, are highly sensitive to uncertainties in atmospheric temperature and cloud top pressure. However, for an optically thick cloud, the CRTM-based BTs are not sensitive to the uncertainties of cloud optical thickness, effective particle size, and atmospheric humidity profiles. On the contrary, the uncertainties of the CRTM-based TOA BTs resulting from effective particle size and optical thickness are not negligible in an optically thin cloud.

Efficient weakly-radiative wireless energy transfer: An EIT-like approach

International Nuclear Information System (INIS)

Hamam, Rafif E.; Karalis, Aristeidis; Joannopoulos, J.D.; Soljacic, Marin

2009-01-01

Inspired by a quantum interference phenomenon known in the atomic physics community as electromagnetically induced transparency (EIT), we propose an efficient weakly radiative wireless energy transfer scheme between two identical classical resonant objects, strongly coupled to an intermediate classical resonant object of substantially different properties, but with the same resonance frequency. The transfer mechanism essentially makes use of the adiabatic evolution of an instantaneous (so called 'dark') eigenstate of the coupled 3-object system. Our analysis is based on temporal coupled mode theory (CMT), and is general enough to be valid for various possible sorts of coupling, including the resonant inductive coupling on which witricity-type wireless energy transfer is based. We show that in certain parameter regimes of interest, this scheme can be more efficient, and/or less radiative than other, more conventional approaches. A concrete example of wireless energy transfer between capacitively-loaded metallic loops is illustrated at the beginning, as a motivation for the more general case. We also explore the performance of the currently proposed EIT-like scheme, in terms of improving efficiency and reducing radiation, as the relevant parameters of the system are varied.

Detection of Intramolecular Charge Transfer and Dynamic Solvation in Eosin B by Femtosecond Two-Dimensional Electronic Spectroscopy

Science.gov (United States)

Ghosh, Soumen; Roscioli, Jerome D.; Beck, Warren F.

2014-06-01

We have employed 2D electronic photon echo spectroscopy to study intramolecular charge-transfer dynamics in eosin B. After preparation of the first excited singlet state (S_1) with 40-fs excitation pulses at 520 nm, the nitro group (--NO_2) in eosin B undergoes excited state torsional motion towards a twisted intramolecular charge transfer (TICT) state. As the viscosity of the surrounding solvent increases, the charge-transfer rate decreases because the twisting of the --NO_2 group is hindered. These conclusions are supported by the time evolution of the 2D spectrum, which provides a direct measure of the the ground-to-excited-state energy gap time-correlation function, M(t). In comparison to the inertial and diffusive solvation time scales exhibited by eosin Y, which lacks the nitro group, the M(t) function for eosin B exhibits under the same conditions an additional component on the 150-fs timescale that arises from quenching of the S_1 state by crossing to the TICT state. These results indicate that 2D electronic spectroscopy can be used as a sensitive probe of the rate of charge transfer in a molecular system and of the coupling to the motions of the surrounding solvent. (Supported by grant DE-SC0010847 from the Department of Energy, Office of Basic Energy Sciences, Photosynthetic Systems program.)

Photoinduced Charge Transfer from Titania to Surface Doping Site.

Science.gov (United States)

Inerbaev, Talgat; Hoefelmeyer, James D; Kilin, Dmitri S

2013-05-16

We evaluate a theoretical model in which Ru is substituting for Ti at the (100) surface of anatase TiO 2 . Charge transfer from the photo-excited TiO 2 substrate to the catalytic site triggers the photo-catalytic event (such as water oxidation or reduction half-reaction). We perform ab-initio computational modeling of the charge transfer dynamics on the interface of TiO 2 nanorod and catalytic site. A slab of TiO 2 represents a fragment of TiO 2 nanorod in the anatase phase. Titanium to ruthenium replacement is performed in a way to match the symmetry of TiO 2 substrate. One molecular layer of adsorbed water is taken into consideration to mimic the experimental conditions. It is found that these adsorbed water molecules saturate dangling surface bonds and drastically affect the electronic properties of systems investigated. The modeling is performed by reduced density matrix method in the basis of Kohn-Sham orbitals. A nano-catalyst modeled through replacement defect contributes energy levels near the bottom of the conduction band of TiO 2 nano-structure. An exciton in the nano-rod is dissipating due to interaction with lattice vibrations, treated through non-adiabatic coupling. The electron relaxes to conduction band edge and then to the Ru cite with faster rate than hole relaxes to the Ru cite. These results are of the importance for an optimal design of nano-materials for photo-catalytic water splitting and solar energy harvesting.

Four- and six-charge transfer reactions induced by 52Cr, 56Fe, 63Cu in rare-earths

International Nuclear Information System (INIS)

Mouchaty, G.

1977-01-01

The cross sections for transfer reactions in which 4 and 6 charges are gained by Sm and Nd targets have been measured, the projectiles being 52 Cr and 56 Fe at 343 and 377 MeV. These energies correspond to 1.5B, B being the interaction barrier. The results obtained indicate that the cross section increases when the number of charges transferred and the mass of the projectile are increased. The angular distributions and recoil ranges at each angle of 151 Dy produced through 52 Cr+ 148 Sm, 52 Cr+ 144 Nd, 56 Fe+ 144 Nd, 63 Cu+ 144 Nd reactions were determined for incident energies equivalent to 1.5B. After transformation into the c.m. system, the angular distributions exhibit a maximum close to 155 0 and a tail at small angles. The position of the maximum is independent of the incident ion and of the number of transferred charges. The analysis of the energy distributions indicate that the observed reactions can be explained by a two-step process: a transfer of nucleons followed by an evaporation step. The number of nucleons transferred in the 1st step and the associated excitation energies are higher for the events corresponding to the tail than for those corresponding to the maximum [fr

Study on charge transfer reaction of several organic molecules with accelerated rare gas ions

International Nuclear Information System (INIS)

Takahasi, Makoto; Okuda, Sachiko; Arai, Eiichi; Ichinose, Akira; Takakubo, Masaaki.

1984-01-01

Observing the charge transfer mass spectra of ethylbenzene, cyclobutane and methanol in Ar and Xe ion impacts, we investigated the dependence of the secondary ion peak intensities (normalized to primary ion current and target pressure) on the translational energy of primary ions (0-3500 eV).In the case of ethylbenzene, several maxima of the secondary i on peak intensities were observed in Ar and Xe ion impacts. The correlation between the maxima and the primary ion energy was examined in terms of near adiabatic theory of Massey. Supplementary studies on the energy distribution of primary ion, charge transfer cross section between methanol and Xe ion, and final product analysis in rare gas ion irradiation on cyclobutane were described. (author)

An anisotropic diffusion approximation to thermal radiative transfer

International Nuclear Information System (INIS)

Johnson, Seth R.; Larsen, Edward W.

2011-01-01

This paper describes an anisotropic diffusion (AD) method that uses transport-calculated AD coefficients to efficiently and accurately solve the thermal radiative transfer (TRT) equations. By assuming weak gradients and angular moments in the radiation intensity, we derive an expression for the radiation energy density that depends on a non-local function of the opacity. This nonlocal function is the solution of a transport equation that can be solved with a single steady-state transport sweep once per time step, and the function's second angular moment is the anisotropic diffusion tensor. To demonstrate the AD method's efficacy, we model radiation flow down a channel in 'flatland' geometry. (author)

Negative thermal expansion induced by intermetallic charge transfer.

Science.gov (United States)

Azuma, Masaki; Oka, Kengo; Nabetani, Koichiro

2015-06-01

Suppression of thermal expansion is of great importance for industry. Negative thermal expansion (NTE) materials which shrink on heating and expand on cooling are therefore attracting keen attention. Here we provide a brief overview of NTE induced by intermetallic charge transfer in A-site ordered double perovskites SaCu 3 Fe 4 O 12 and LaCu 3 Fe 4- x Mn x O 12 , as well as in Bi or Ni substituted BiNiO 3 . The last compound shows a colossal dilatometric linear thermal expansion coefficient exceeding -70 × 10 -6 K -1 near room temperature, in the temperature range which can be controlled by substitution.

Microwave radiative transfer intercomparison study for 3-D dichroic media

International Nuclear Information System (INIS)

Battaglia, A.; Davis, C.P.; Emde, C.; Simmer, C.

2007-01-01

Three different numerical methods capable of solving the radiative transfer of microwave radiation within 3-D dichroic media are compared. A case study, represented by an intense rain shaft populated by perfectly oriented oblate raindrops, is analysed in detail, including a discussion of the behaviour of all four Stokes components. Results demonstrate an acceptable agreement between all Monte Carlo methods. The method based on a discrete ordinates scheme agrees only qualitatively with the Monte Carlo outputs. Because of its lower computational cost the backward Monte Carlo technique based on importance sampling represents the most efficient way to face passive microwave radiative transfer problems related to optically thick 3-D structured clouds including non-spherical preferentially oriented hydrometeors

Theoretical investigation of the charge-transfer properties in different meso-linked zinc porphyrins for highly efficient dye-sensitized solar cells.

Science.gov (United States)

Namuangruk, Supawadee; Sirithip, Kanokkorn; Rattanatwan, Rattanawelee; Keawin, Tinnagon; Kungwan, Nawee; Sudyodsuk, Taweesak; Promarak, Vinich; Surakhot, Yaowarat; Jungsuttiwong, Siriporn

2014-06-28

The charge transfer effect of different meso-substituted linkages on porphyrin analogue 1 (A1, B1 and C1) was theoretically investigated using density functional theory (DFT) and time-dependent DFT (TDDFT) calculations. The calculated geometry parameters and natural bond orbital analysis reveal that the twisted conformation between porphyrin macrocycle and meso-substituted linkages leads to blocking of the conjugation of the conjugated backbone, and the frontier molecular orbital plot shows that the intramolecular charge transfer of A1, B1 and C1 hardly takes place. In an attempt to improve the photoinduced intramolecular charge transfer ability of the meso-linked zinc porphyrin sensitizer, a strong electron-withdrawing group (CN) was introduced into the anchoring group of analogue 1 forming analogue 2 (A2, B2 and C2). The density difference plot of A2, B2 and C2 shows that the charge transfer properties dramatically improved. The electron injection process has been performed using TDDFT; the direct charge-transfer transition in the A2-(TiO2)38 interacting system takes place; our results strongly indicated that introducing electron-withdrawing groups into the acceptor part of porphyrin dyes can fine-tune the effective conjugation length of the π-spacer and improve intramolecular charge transfer properties, consequently inducing the electron injection process from the anchoring group of the porphyrin dye to the (TiO2)38 surface which may improve the conversion efficiency of the DSSCs. Our calculated results can provide valuable information and a promising outlook for computation-aided sensitizer design with anticipated good properties in further experimental synthesis.

Heat transfer enhancement of car radiator using aqua based magnesium oxide nanofluids

OpenAIRE

Ali Hafiz Muhammad; Azhar Muhammad Danish; Saleem Musab; Saeed Qazi Samie; Saieed Ahmed

2015-01-01

The focus of this research paper is on the application of water based MgO nanofluids for thermal management of a car radiator. Nanofluids of different volumetric concentrations (i.e. 0.06%, 0.09% and 0.12%) were prepared and then experimentally tested for their heat transfer performance in a car radiator. All concentrations showed enhancement in heat transfer compared to the pure base fluid. A peak heat transfer enhancement of 31% was obtained at 0.12 % vol...

Effect of seeds of heavy charged particles of galactic cosmic radiation

International Nuclear Information System (INIS)

Maksimova, Y.N.

1985-01-01

The experiments were carried out on Lactuca sativa seeds exposed for 20, 66, 123 and 308 days in a biostack also containing physical detectors of heavy charged particles. The yield of aberrant cells and its dependence on the exposure time and the site where particles hit the object were measured. The cytogenetic examination demonstrated a significant difference between the seeds that were or were not hit by heavy charged particles. A significant contribution of galactic cosmic radiation to the radiobiological effect is indicated. The yield of aberrant cells as a function of the localization of heavy charged particles in the seed is established. The most sensitive target is the root meristem

Collisions of fast multicharged ions in gas targets: charge transfer and ionization

International Nuclear Information System (INIS)

Schlachter, A.S.

1981-05-01

Measurements of cross sections for charge transfer and ionization of H 2 and rare-gas targets have been made with fast, highly stripped projectiles in charge states as high as 59+. We have found an empirical scaling rule for electron-capture cross section in H 2 valid at energies above 275 keV/amu. Similar scaling might exist for other target gases. Cross sections are generally in good agreement with theory. We have found a scaling rule for electron loss from H in collisions with a fast highly stripped projectile, based on Olson's classical-trajectory Monte-Carlo calculations, and confirmed by measurements in an H 2 target. We have found a similar scaling rule for net ionization of rare-gas targets, based on Olson's CTMC calculations and the independent-electron model. Measurements are essentially consistent with the scaled cross sections. Calculations and measurements of recoil-ion charge-state spectra show large cross sections for the production of highly charged slow recoil ions

Intrinsic non-radiative voltage losses in fullerene-based organic solar cells

Science.gov (United States)

Benduhn, Johannes; Tvingstedt, Kristofer; Piersimoni, Fortunato; Ullbrich, Sascha; Fan, Yeli; Tropiano, Manuel; McGarry, Kathryn A.; Zeika, Olaf; Riede, Moritz K.; Douglas, Christopher J.; Barlow, Stephen; Marder, Seth R.; Neher, Dieter; Spoltore, Donato; Vandewal, Koen

2017-06-01

Organic solar cells demonstrate external quantum efficiencies and fill factors approaching those of conventional photovoltaic technologies. However, as compared with the optical gap of the absorber materials, their open-circuit voltage is much lower, largely due to the presence of significant non-radiative recombination. Here, we study a large data set of published and new material combinations and find that non-radiative voltage losses decrease with increasing charge-transfer-state energies. This observation is explained by considering non-radiative charge-transfer-state decay as electron transfer in the Marcus inverted regime, being facilitated by a common skeletal molecular vibrational mode. Our results suggest an intrinsic link between non-radiative voltage losses and electron-vibration coupling, indicating that these losses are unavoidable. Accordingly, the theoretical upper limit for the power conversion efficiency of single-junction organic solar cells would be reduced to about 25.5% and the optimal optical gap increases to 1.45-1.65 eV, that is, 0.2-0.3 eV higher than for technologies with minimized non-radiative voltage losses.

Structural dynamics of a noncovalent charge transfer complex from femtosecond stimulated Raman spectroscopy.

Science.gov (United States)

Fujisawa, Tomotsumi; Creelman, Mark; Mathies, Richard A

2012-09-06

Femtosecond stimulated Raman spectroscopy is used to examine the structural dynamics of photoinduced charge transfer within a noncovalent electron acceptor/donor complex of pyromellitic dianhydride (PMDA, electron acceptor) and hexamethylbenzene (HMB, electron donor) in ethylacetate and acetonitrile. The evolution of the vibrational spectrum reveals the ultrafast structural changes that occur during the charge separation (Franck-Condon excited state complex → contact ion pair) and the subsequent charge recombination (contact ion pair → ground state complex). The Franck-Condon excited state is shown to have significant charge-separated character because its vibrational spectrum is similar to that of the ion pair. The charge separation rate (2.5 ps in ethylacetate and ∼0.5 ps in acetonitrile) is comparable to solvation dynamics and is unaffected by the perdeuteration of HMB, supporting the dominant role of solvent rearrangement in charge separation. On the other hand, the charge recombination slows by a factor of ∼1.4 when using perdeuterated HMB, indicating that methyl hydrogen motions of HMB mediate the charge recombination process. Resonance Raman enhancement of the HMB vibrations in the complex reveals that the ring stretches of HMB, and especially the C-CH(3) deformations are the primary acceptor modes promoting charge recombination.

A three-dimensional model of solar radiation transfer in a non-uniform plant canopy

Science.gov (United States)

Levashova, N. T.; Mukhartova, Yu V.

2018-01-01

A three-dimensional (3D) model of solar radiation transfer in a non-uniform plant canopy was developed. It is based on radiative transfer equations and a so-called turbid medium assumption. The model takes into account the multiple scattering contributions of plant elements in radiation fluxes. These enable more accurate descriptions of plant canopy reflectance and transmission in different spectral bands. The model was applied to assess the effects of plant canopy heterogeneity on solar radiation transmission and to quantify the difference in a radiation transfer between photosynthetically active radiation PAR (=0.39-0.72 μm) and near infrared solar radiation NIR (Δλ = 0.72-3.00 μm). Comparisons of the radiative transfer fluxes simulated by the 3D model within a plant canopy consisted of sparsely planted fruit trees (plant area index, PAI - 0.96 m2 m-2) with radiation fluxes simulated by a one-dimensional (1D) approach, assumed horizontal homogeneity of plant and leaf area distributions, showed that, for sunny weather conditions with a high solar elevation angle, an application of a simplified 1D approach can result in an underestimation of transmitted solar radiation by about 22% for PAR, and by about 26% for NIR.

Enhancing radiative energy transfer through thermal extraction

Directory of Open Access Journals (Sweden)

Tan Yixuan

2016-06-01

Full Text Available Thermal radiation plays an increasingly important role in many emerging energy technologies, such as thermophotovoltaics, passive radiative cooling and wearable cooling clothes [1]. One of the fundamental constraints in thermal radiation is the Stefan-Boltzmann law, which limits the maximum power of far-field radiation to P0 = σT4S, where σ is the Boltzmann constant, S and T are the area and the temperature of the emitter, respectively (Fig. 1a. In order to overcome this limit, it has been shown that near-field radiations could have an energy density that is orders of magnitude greater than the Stefan-Boltzmann law [2-7]. Unfortunately, such near-field radiation transfer is spatially confined and cannot carry radiative heat to the far field. Recently, a new concept of thermal extraction was proposed [8] to enhance far-field thermal emission, which, conceptually, operates on a principle similar to oil immersion lenses and light extraction in light-emitting diodes using solid immersion lens to increase light output [62].Thermal extraction allows a blackbody to radiate more energy to the far field than the apparent limit of the Stefan-Boltzmann law without breaking the second law of thermodynamics.

Crossed beam study of He+-O2 charge transfer reactions in the collision energy range 0.5-200 eV

International Nuclear Information System (INIS)

Bischof, G.; Linder, F.

1986-01-01

Energy spectra and angular distributions of the O + and O 2 + product ions resulting from the He + -O 2 charge transfer reaction have been measured in the collision energy range 0.5-200 eV using the crossed-beam method. The O 2 + ions represent only a minor fraction of the reaction products (0.2-0.6% over the energy range measured). In the dissociative charge transfer reaction, four main processes are identified leading to O+O + reaction products in different electronic states. Two different mechanisms can be distinguished, each being responsible for two of the observed processes: (i) a long-distance energy-resonant charge transfer process involving the c 4 Σsub(u) - (upsilon'=0) state of O 2 + and (ii) a slightly exothermic charge transfer process via the (III) 2 PIsub(u) state of O 2 + (with the exothermicity depending on the collision energy). Angle-integrated branching ratios and partial cross sections (in absolute units) have been determined. The branching ratios of the individual processes show a pronounced dependence on the collision energy. At low energies, the O + product ions are preferentially formed in the 2 P 0 and 2 D 0 excited states. The angular distributions of the O + product ions show an anisotropic behaviour indicating an orientation-dependent charge transfer probability in the He + -O 2 reaction. (orig.)

Annealing bounds to prevent further Charge Transfer Inefficiency increase of the Chandra X-ray CCDs

Energy Technology Data Exchange (ETDEWEB)

Monmeyran, Corentin, E-mail: comonmey@mit.edu [Department of Materials Science and Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA 02139 (United States); Patel, Neil S., E-mail: neilp@mit.edu [Department of Materials Science and Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA 02139 (United States); Bautz, Mark W., E-mail: mwb@space.mit.edu [Kavli Institute for Astrophysics and Space Research, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA 02139 (United States); Grant, Catherine E., E-mail: cgrant@space.mit.edu [Kavli Institute for Astrophysics and Space Research, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA 02139 (United States); Prigozhin, Gregory Y., E-mail: gyp@space.mit.edu [Kavli Institute for Astrophysics and Space Research, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA 02139 (United States); Agarwal, Anuradha, E-mail: anu@mit.edu [Microphotonics Center, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA 02139 (United States); Kimerling, Lionel C., E-mail: lckim@mit.edu [Department of Materials Science and Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA 02139 (United States); Microphotonics Center, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA 02139 (United States)

2016-12-15

After the front-illuminated CCDs on board the X-ray telescope Chandra were damaged by radiation after launch, it was decided to anneal them in an effort to remove the defects introduced by the irradiation. The annealing led to an unexpected increase of the Charge Transfer Inefficiency (CTI). The performance degradation is attributed to point defect interactions in the devices. Specifically, the annealing at 30 °C activated the diffusion of the main interstitial defect in the device, the carbon interstitial, which led to its association with a substitutional impurity, ultimately resulting in a stable and electrically active defect state. Because the formation reaction of this carbon interstitial and substitutional impurity associate is diffusion limited, we recommend a higher upper bound for the annealing temperature and duration of any future CCD anneals, that of −50 °C for one day or −60 °C for a week, to prevent further CTI increase.

Linearized vector radiative transfer model MCC++ for a spherical atmosphere

International Nuclear Information System (INIS)

Postylyakov, O.V.

2004-01-01

Application of radiative transfer models has shown that optical remote sensing requires extra characteristics of radiance field in addition to the radiance intensity itself. Simulation of spectral measurements, analysis of retrieval errors and development of retrieval algorithms are in need of derivatives of radiance with respect to atmospheric constituents under investigation. The presented vector spherical radiative transfer model MCC++ was linearized, which allows the calculation of derivatives of all elements of the Stokes vector with respect to the volume absorption coefficient simultaneously with radiance calculation. The model MCC++ employs Monte Carlo algorithm for radiative transfer simulation and takes into account aerosol and molecular scattering, gas and aerosol absorption, and Lambertian surface albedo. The model treats a spherically symmetrical atmosphere. Relation of the estimated derivatives with other forms of radiance derivatives: the weighting functions used in gas retrieval and the air mass factors used in the DOAS retrieval algorithms, is obtained. Validation of the model against other radiative models is overviewed. The computing time of the intensity for the MCC++ model is about that for radiative models treating sphericity of the atmosphere approximately and is significantly shorter than that for the full spherical models used in the comparisons. The simultaneous calculation of all derivatives (i.e. with respect to absorption in all model atmosphere layers) and the intensity is only 1.2-2 times longer than the calculation of the intensity only

Charge-Transfer-Induced p-Type Channel in MoS2 Flake Field Effect Transistors.

Science.gov (United States)

Min, Sung-Wook; Yoon, Minho; Yang, Sung Jin; Ko, Kyeong Rok; Im, Seongil

2018-01-31

The two-dimensional transition-metal dichalcogenide semiconductor MoS 2 has received extensive attention for decades because of its outstanding electrical and mechanical properties for next-generation devices. One weakness of MoS 2 , however, is that it shows only n-type conduction, revealing its limitations for homogeneous PN diodes and complementary inverters. Here, we introduce a charge-transfer method to modify the conduction property of MoS 2 from n- to p-type. We initially deposited an n-type InGaZnO (IGZO) film on top of the MoS 2 flake so that electron charges might be transferred from MoS 2 to IGZO during air ambient annealing. As a result, electron charges were depleted in MoS 2 . Such charge depletion lowered the MoS 2 Fermi level, which makes hole conduction favorable in MoS 2 when optimum source/drain electrodes with a high work function are selected. Our IGZO-supported MoS 2 flake field effect transistors (FETs) clearly display channel-type conversion from n- to p-channel in this way. Under short- and long-annealing conditions, n- and p-channel MoS 2 FETs are achieved, respectively, and a low-voltage complementary inverter is demonstrated using both channels in a single MoS 2 flake.

Multiply charged ions of the oxygen - produced at interaction of laser radiation with two-element solids

International Nuclear Information System (INIS)

Bedilov, M.R.; Bedilov, R.M.; Kamalova, J.O.; Davletov, I.Yu.; Matnazarov, A.R.

2007-01-01

Full text: The interest to study of the oxygen multiply charged ions spectra produced at interaction laser radiation with one and two-element solids, is associate with possibility of creating laser and inertial thermonuclear syntheses, effective sources of multiply charged ions and nuclei atoms elements, plasma lasers, lasers on multiply charged transition, design of radiation-resistant materials and others. The present time many works is devoted to multiply charged ions, obtained from one element targets. Experimental results of study charge and energy spectra multiply charged ions of the oxygen, formed at interaction laser radiation with one and two-element solids are given in this work. Our experiments, we used installation, which is described in [1]. Neodymium laser had following parameters: wavelength 1.06 μm; intensity q = (0.1 h 1000) GW/sm 2 ; angle of incidence = 180. Were study one element Al, and two-element Al 2 O 3 , Y 2 O 3 targets by a diameter of 10 mm and thickness of 3 mm. Analysis obtained charge and energy spectra of multiply charged ions one (Al) and two-element (Al 2 O 3 , Y 2 O 3 ) targets depending on intensity of laser radiation and targets components reveal the following: - maximal charge number one element target (Al) at q 500 GW/sm 2 is equal Z max = 6 and all peaks corresponding to charge numbers Z = 1 - 6 well resolved, but two-element targets (Al 2 O 3 ) Z max ions Al decrease before 3. Also it is necessary to note that, Z max ions of the oxygen depend on target components. In case Al 2 O 3 and Y 2 O 3 maximal charge number of oxygen ions are equal Z max = 6 and 3, accordingly; - obtained charge and energy spectra of oxygen ions being included in two-element targets, are indicative of that, general regularities of the change Z max , E max and structures charge and energy spectra depending on q laser are saved. However they hang by target components; - common features and some differences of energy spectra multiply charged oxygen ions

Enhancing radiative energy transfer through thermal extraction

Science.gov (United States)

Tan, Yixuan; Liu, Baoan; Shen, Sheng; Yu, Zongfu

2016-06-01

Thermal radiation plays an increasingly important role in many emerging energy technologies, such as thermophotovoltaics, passive radiative cooling and wearable cooling clothes [1]. One of the fundamental constraints in thermal radiation is the Stefan-Boltzmann law, which limits the maximum power of far-field radiation to P0 = σT4S, where σ is the Boltzmann constant, S and T are the area and the temperature of the emitter, respectively (Fig. 1a). In order to overcome this limit, it has been shown that near-field radiations could have an energy density that is orders of magnitude greater than the Stefan-Boltzmann law [2-7]. Unfortunately, such near-field radiation transfer is spatially confined and cannot carry radiative heat to the far field. Recently, a new concept of thermal extraction was proposed [8] to enhance far-field thermal emission, which, conceptually, operates on a principle similar to oil immersion lenses and light extraction in light-emitting diodes using solid immersion lens to increase light output [62].Thermal extraction allows a blackbody to radiate more energy to the far field than the apparent limit of the Stefan-Boltzmann law without breaking the second law of thermodynamics. Thermal extraction works by using a specially designed thermal extractor to convert and guide the near-field energy to the far field, as shown in Fig. 1b. The same blackbody as shown in Fig. 1a is placed closely below the thermal extractor with a spacing smaller than the thermal wavelength. The near-field coupling transfers radiative energy with a density greater than σT4. The thermal extractor, made from transparent and high-index or structured materials, does not emit or absorb any radiation. It transforms the near-field energy and sends it toward the far field. As a result, the total amount of far-field radiative heat dissipated by the same blackbody is greatly enhanced above SσT4, where S is the area of the emitter. This paper will review the progress in thermal

Excitation and charge transfer in low-energy hydrogen atom collisions with neutral iron

Science.gov (United States)

Barklem, P. S.

2018-05-01

Data for inelastic processes due to hydrogen atom collisions with iron are needed for accurate modelling of the iron spectrum in late-type stars. Excitation and charge transfer in low-energy Fe+H collisions is studied theoretically using a previously presented method based on an asymptotic two-electron linear combination of atomic orbitals model of ionic-covalent interactions in the neutral atom-hydrogen-atom system, together with the multi-channel Landau-Zener model. An extensive calculation including 166 covalent states and 25 ionic states is presented and rate coefficients are calculated for temperatures in the range 1000-20 000 K. The largest rates are found for charge transfer processes to and from two clusters of states around 6.3 and 6.6 eV excitation, corresponding in both cases to active 4d and 5p electrons undergoing transfer. Excitation and de-excitation processes among these two sets of states are also significant. Full Tables and rate coefficient data are only available at the CDS via anonymous ftp to cdsarc.u-strasbg.fr (130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/612/A90

Mechanism of the Primary Charge Transfer Reaction in the Cytochrome bc1 Complex

DEFF Research Database (Denmark)

Barragan, Angela M; Schulten, Klaus; Solov'yov, Ilia A

2016-01-01

, the quinol-protein interaction, which initiates the Q-cycle, has not yet been completely described. Furthermore, the initial charge transfer reactions of the Q-cycle lack a physical description. The present investigation utilizes classical molecular dynamics simulations in tandem with quantum density...

Transfer of momentum, mass and charge in heavy ion collisions

International Nuclear Information System (INIS)

Beck, F.; Feldmeier, H.; Dworzecka, M.

1979-01-01

A model for the first two phases of heavy ion collisions based on the transport of single nucleons through the window between the two scattering nuclei is described in some detail. It is pointed out that the model can account simultaneously for a large portion of the energy transfer from relative to intrinsic motion and for the observed variances in mass and charge numbers for reaction times up to the order of 10 -21 s. (P.L.)

Adaptation of the delta-m and δ-fit truncation methods to vector radiative transfer: Effect of truncation on radiative transfer accuracy

International Nuclear Information System (INIS)

Sanghavi, Suniti; Stephens, Graeme

2015-01-01

In the presence of aerosol and/or clouds, the use of appropriate truncation methods becomes indispensable for accurate but cost-efficient radiative transfer computations. Truncation methods allow the reduction of the large number (usually several hundreds) of Fourier components associated with particulate scattering functions to a more manageable number, thereby making it possible to carry out radiative transfer computations with a modest number of streams. While several truncation methods have been discussed for scalar radiative transfer, few rigorous studies have been made of truncation methods for the vector case. Here, we formally derive the vector form of Wiscombe's delta-m truncation method. Two main sources of error associated with delta-m truncation are identified as the delta-separation error (DSE) and the phase-truncation error (PTE). The view angles most affected by truncation error occur in the vicinity of the direction of exact backscatter. This view geometry occurs commonly in satellite based remote sensing applications, and is hence of considerable importance. In order to deal with these errors, we adapt the δ-fit approach of Hu et al. (2000) [17] to vector radiative transfer. The resulting δBGE-fit is compared with the vectorized delta-m method. For truncation at l=25 of an original phase matrix consisting of over 300 Fourier components, the use of the δBGE-fit minimizes the error due to truncation at these view angles, while practically eliminating error at other angles. We also show how truncation errors have a distorting effect on hyperspectral absorption line shapes. The choice of the δBGE-fit method over delta-m truncation minimizes errors in absorption line depths, thus affording greater accuracy for sensitive retrievals such as those of XCO 2 from OCO-2 or GOSAT measurements. - Highlights: • Derives vector form for delta-m truncation method. • Adapts δ-fit truncation approach to vector RTE as δBGE-fit. • Compares truncation

Engineering Interfacial Charge Transfer in CsPbBr3 Perovskite Nanocrystals by Heterovalent Doping

KAUST Repository

Begum, Raihana; Parida, Manas R.; Abdelhady, Ahmed L.; Banavoth, Murali; AlYami, Noktan; Ahmed, Ghada H.; Hedhili, Mohamed N.; Bakr, Osman; Mohammed, Omar F.

2016-01-01

Since compelling device efficiencies of perovskite solar cells have been achieved, investigative efforts have turned to understand other key challenges in these systems, such as engineering interfacial energy-level alignment and charge transfer (CT

Practical applications of radiative wireless power transfer

NARCIS (Netherlands)

Pflug, H.; Visser, H.J.; Keyrouz, S.

2015-01-01

For practical use of radiative wireless power transfer (WPT), it is necessary to design a system which is able to supply circuits with a dynamic loading characteristic. In this paper we present a practical way to obtain efficiency and dc output power characteristics of a WPT system. An Avago