Optical detrapping of charge carriers from surface traps in anthracene crystals

Holes trapped at the surface of an anthracene crystal can be released upon irradiation with a frequency-doubled Nd-laser. Near a 1 M KCl contact the density of filled traps is 10¹⁰ cm^?2. The cross section for optical detrapping is 10^?17 cm².     

Generation and transport of charge carriers in polyvinylcarbazole

The processes of generation and transport of excess charge carriers in polyvinylcarbazole at room temperature and at 353 K were experimentally studied. The polymer was charged with pulses of electrons at energies of 7 and 50 keV, which differed in both linear energy transfer and track structure. A universal method of investigation based on the combination of the time-of-flight technique in the both (surface and bulk) modes with the measurement of radiation-induced conductivity was used. The radiation-chemical yield of free charges was measured using two independent procedures. It was shown that the radiation chemical yield of free charges at 293 K was somewhat smaller for 7-keV than for 50-keV electrons; in the latter case, G = 1.1 in an electric field of 2 × 10⁷ V/m. The parameters of the generalized physical model were determined for polyvinylcarbazole.     

Photogeneration and transport of charge carriers in polysilylenes

The attachment of π-conjugated chromophores that absorb the radiation with long wavelengths to poly(methylphenylsilylene) ( 1 ) via reactions of its formylated derivative is described. Some of the polymers obtained show improved photostability and higher quantum photogeneration efficiency in comparison with the parent polymer. Photoconductive ultra-thin layers can be prepared from polar derivatives of ( 1 ) by the Langmuir–Blodgett technique.     

Local non-equilibrium distribution of charge carriers in a phase-coherent conductor

We use the scattering matrix approach to derive generalized Bardeen-like formulae for the conductances between the contacts of a phase-coherent multiprobe conductor and a tunneling tip which probes its surface. These conductances are proportional to local partial densities of states, called injectivities and emissivities. The current and the current fluctuations measured at the tip are related to and effective local non-equilibrium distribution function. This distribution function contains the quantum-mechanical phase-coherence of the charge carriers in the conductor and is given as products of injectivities and the Fermi distribution functions in the electron reservoirs. The results are illustrated for measurements on ballistic conductors with barriers and for diffusive conductors.     

Quadrupolar traps for charge carriers in the vicinity of lattice vacancies in pentacene crystals

Thermally stimulated current techniques have been used for a selective study of shallow electron and hole traps in pentacene crystals. Asymmetry, observed in electron and hole trapping, is interpreted as evidence for the existence of quadrupolar traps in the vicinity of lattice vacancies, theoretically predicted by Eisenstein and Munn.     

Generation and transport of charge carriers in the charge-transfer complex anthracene-pyromellitic-dianhydride

In single crystals of the zone-refined charge-transfer complex anthracene-pyromellitic-dianhydride the temperature dependences of the photocurrent quantum yield and of the electron and hole mobilities ⊥ [001] and ⊥ (010) have been studied. A hot transition in the action spectrum and microscopic electron mobilities are observed.     

Determination of pre-scission kinetic energy in low energy fission using isotonic charge distribution model

The spectral lines of the 478 keV prompt -ray from^7*Li produced in the¹⁰B(n, )^7*Li reaction were measured for a silicon wafer coated with a thin boron layer using neutron beams. The shapes of the Doppler broadened lines were found to depend greatly on the angle between the measurement axis and the boron layer surface. The angular dependence was interpreted according to whether the energetic^7*Li ions are ejected into air or into the substance in the forward or backward recoil of^7*Li to the -ray detector.     

Temperature dependence of the mobility of charge carriers during dispersive transport

The numerical solution of equations in terms of the multiple-trapping model with an exponential energy distribution of traps is used as a basis for the analysis of the temperature dependence of the mobility of charge carriers estimated from the results of time-of-flight experiments for near-surface (classical case) and uniform irradiation of polymer samples in the weak-signal regime.     

Intramolecular transport of charge carriers in trimeric aniline upon a three-step acid doping process

The "acid doping" of a methyl-capped aniline trimer, N-[4-(dimethylamino)phenyl]-N-(4-{[4-(dimethylamino)phenyl]imino}-2,5- cyclohexadien-1-ylidene)-amine (TANI), was performed stoichiometrically to study the nature of charge carriers induced by the acid protonation process. The redox centers in TANI were found to undergo a reversible three-step protonation with 1 equiv, 2 equiv and a large molar excess of dodecylbenzenesulfonic acid (DBSA) in chloroform, as evidenced by three different chromophores (doping levels I, II and III) observed using UV-vis-NIR. Acidity of the dopants and solvent polarity were controlling factors. As revealed by electron paramagnetic resonance spectroscopy (EPR), the doping levels I, II, and III achieved by doping 0.1 mM TANI/chloroform solutions with different amounts of DBSA exhibited relative spin densities of 1:1.2:2.2. Since the expected maximum spin population of TANI through acid doping is two spins per molecule, the reduced paramagnetism given by the doubly protonated TANI (doping level II) indicated partially coupled unpaired spins. The third protonation step (doping level III) produced almost double the unpaired spin concentration compared to the lower doping levels and a multiline EPR spectrum likely comprising two overlapping signals of similar overall line width. The hyperfine couplings contributing to the splittings in this signal were estimated by simulation incorporating 6-H and 1-N nuclei most likely from one highly localized unpaired spin on a terminal dimethylamino group, with an underlying apparent singlet arising from a delocalized unpaired spin; the diradical proposed as the species exhibiting the multiplet EPR signal is isolated by the bridging ammonium cation created by the third doping step. The phenomena suggested the stepwise evolution of partly formed diamagnetic bipolarons from polaron interactions at doping level II and the transformation to the more isolated unsymmetrical system we label "two polarons on a chain" in a triplet state at doping level III. The results provide the characterization of novel doping behaviors for a trimeric aniline molecule in organic solution.     

有机电致发光器件中载流子传输与复合的调控

在典型的多异质结器件ITO/NPB/CBP：Ir（ppy）3/Bphen/Alq3/LiF/Al的基础上,利用有机半导体掺杂技术,设计制备了单异质结-单发光层器件、单异质结-p-i-n结构器件、单异质结-双发光层器件及无异质结-混合主体结构器件,并对其光电性能进行了研究和比较.其中,单异质结-p-i-n结构器件的最大功率效率为32.1lm/W,是参考器件的3.1倍,寿命是参考器件的15倍.无异质结-混合主体结构器件的最大功率效率为37.2lm/W,是参考器件的3.5倍,其寿命是参考器件的46倍.研究结果表明,通过对载流子传输层和发光层的优化设计,构建电子、空穴传输平衡的载流子传输层和发光层,减少或取消异质结界面仍可以实现对载流子传输和复合的有效调控,从而使器件的发光效率和寿命同时得到提高.本研究将为高性能OLED的设计提供实验基础.     

Study of exciton transport in luminescent molecular nanoclusters using energy traps

We used a squarylium dye SQ as a specific exciton trap for J aggregates of the amphiphilic cyanine dye amphi-PIC. The exciton transport parameters in amphi-PIC J aggregates were estimated using a modified Stern–Volmer equation. We found that SQ quenches 50% of the luminescence of amphi-PIC J aggregates for a ratio of 1 SQ molecule per 80 amphi-PIC molecules. Translated from Teoreticheskaya i éksperimental’naya Khimiya, Vol. 45, No. 1, pp. 50–53, January–February, 2009.     

Hole transport and bimolecular recombination of charge carriers in polycarbonate molecularly doped with aromatic hydrazone

General questions about hole transport and bimolecular recombination of charge carriers in molecularly doped polycarbonate with a low dopant concentration (10 wt %) are considered. The experiment is performed via a radiation-induced time-of-flight technique with bulk generation of charge carriers. Transient-current curves are calculated numerically via a multiple-trapping model. There is good agreement between the calculated and experimental results on the transient-current waveform. Nonequilibrium hole transport is observed in the studied molecularly doped polymer, and the bimolecular recombination is close to the Langevin recombination as described by the multiple-trapping model.     

The effect of charged centers on the transport of charge carriers in molecularly doped polymers

The effect of charged centers on the mobility of charge carriers in molecularly doped polycarbonate is experimentally studied by the method of accelerated electrons for the generation of charge carriers in the surface layer and in the polymer bulk. The hypersensitivity of mobility toward the presence of charged sites that is predicted by the theory of correlated disorder (dipolar glass) is not found. With accumulation of charged centers, transformation of the time-of-flight curves with a well-pronounced plateau region, which is indicative of quasiequilibrium transport according to theory, proceeds in full agreement with the classical concepts on the role of a space charge or bimolecular recombination during high-signal irradiation. Transport of charge carriers in the molecularly doped polymer is not quasiequilibrium but dispersive.     

Nonequilibrium energy dissipation at the interface of sliding model hydroxylated alpha-alumina surfaces

Nonequilibrium molecular dynamics simulations were performed to study the dynamics of energy transfer at the interface of a small nanoscale hydroxylated alpha-alumina surface sliding across a much larger surface of the same material. Sliding velocities of 0.05, 0.5, 5, and 50 ms and loads of 0, 0.0625, 5, 15, 25, and 100 nN were considered. Nonequilibrium energy distributions were found at the interface for each of these conditions. The velocity distribution P(v) for the atoms in a sublayer of the smaller surface oscillates during the sliding, reflecting the periodicity of the interfacial intermolecular potential. When averaged over the sliding, this P(v) for each of the sublayers is bimodal with Boltzmann and non-Boltzmann components. The non-Boltzmann component, with temperatures in excess of 1000 K and as high as 2500 K, is most important for the interfacial H-atom sublayer and becomes less important in moving to a sublayer further from the interface. Similarly, the temperature of the Boltzmann component decreases for sublayers further from the interface and approaches the 300 K temperature of the boundary. The temperature of the Boltzmann component decreases, but the importance of the non-Boltzmann component increases, as the sliding velocity is decreased. The temperature of the non-Boltzmann component is relatively insensitive to the sliding velocity. Friction forces are determined by calculating the energy dissipation during the sliding, and different regimes are found for variation in the friction force versus sliding velocity v(s) and applied load. For v(s) of 0.05, 0.5, and 5 ms, the friction force is inversely proportional to v(s) reflecting the increased time for energy dissipation as v(s) is decreased.     

Systematics of nuclear charge distribution in fission the ZP model

An extension of the conventional Z_P model has been used with data for ten fission reactions and the method of least-squares for derivation of parameters that describe the nuclear charge-distributions. Data for light and heavy fission products for each reaction were treated together by consideration of the complementarity of average mass numbers of precursors (A′_L+A′_H=A_F). This treatment gave calculated yields that are essentially equal for complementary elements (Z_L+Z_H=Z_F). The parameters determined, , the Gaussian dispersion width parameter, a linear function of Δ_Z=|Z_P-A′(Z_F/A_F)|, Z_P being the Z at maximum of the curve, and and , the even-odd proton and neutron yield enhancement factors, represented most data (A_H⋟130–150 and the complementary light A's) moderately well, better than did oscillating functions of and Δ_Z. The values were found to be approximately constant (0.48 to 0.62) and, generally, to increase with the average number of neutrons emitted, . The Δ_Z values at A′=140 were in the range of 0.42 to 0.50, and the slopes, ∂Δ_Z/∂A′_H, ranged from 0.0 to 0.03. The factor was found to be several times larger than the factor and to decrease with increasing excitation energy and with A and/or Z of the fissioning nucleus, as has been reported previously. The adequacy of the Z_P model for representation of data and for prediction of yields in the high-yield mass-number regions mentioned above are discussed, and the large uncertainties that are involved in extrapolating the model to near symmetric or to very asymmetric mass and charge divisions are pointed out.     

Hydrogen-type orbitals in terms of Gaussian functions

We express the hydrogen-type orbitals as integral transforms of Gaussian functions. The topographic features of the analytical expressions for the weight functions provide ways for the design of basis sets. © 1997 John Wiley & Sons, Inc. Int J Quant Chem 65 : 143–150, 1997     

Unusual features of charge carrier traps energy spectra in silicon organic polymers revealed by advanced TSL

The peculiarities of charge carrier traps’ energy spectra in poly (di-n-hexylsilane) films have been studied by the enhanced fractional thermally stimulated luminescence (TSL) in the temperature range of 5-200 K. For the first time, we have shown that the majority of fractional energy values (>80%) is distributed between a set of horizontal energy levels suggesting a discontinuity of the traps’ energy spectrum. These data distinctly differ from the results of earlier studies where a quasilinear dependence of the activation energy on temperature was found. It is shown that the significant width of TSL bands originates from the dispersion of the frequency factor. It is also established that the values obtained for the activation energy correlate well with the frequencies of the symmetric Raman active Ag modes at 268 and 373 cm⁻¹ of the silicon chain, which confirms the suggestion about the hole location on the segments of the silicon organic polymers backbone.