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24 records · Page 2

All sources NASA NTRS DOE OSTI

DOE OSTI2022

Temperature screening and cross-field impurity accumulation from a thermodynamic perspective

In a variety of different systems, high-Z ion species show a marked tendency to accumulate in regions of high plasma density. It has previously been suggested that the apparent universality of this behavior could be explained thermodynamically, in terms of the maximum-entropy state attainable when the system must obey an ambipolarity condition. Furthermore, the previous treatment did not allow for the possibility of temperature gradients. Here, tools from non-equilibrium (Onsager) thermodynamics are used to show that ambipolarity continues to play a key role in producing this behavior in the presence of temperature gradients, and to recover well-known temperature screening effects that appear in these cases.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Effects of polymer grain boundary passivation on organic–inorganic hybrid perovskite field-effect transistors

Despite successful applications of solution-processed organic–inorganic hybrid perovskites (OIHPs) such as archetypical methylammonium lead iodide (MAPI) in high-performance optoelectronic devices including solar cells and light emitting diodes, their application in field-effect transistors (FETs) remains relatively limited due to the unresolved issues caused by ion migration in OIHPs, such as screening of gate electric fields, lowered device on-off ratios and field-effect mobility, and large hysteresis in the FET transfer characteristics. Here, we report improved performances of the MAPI-based FET via a polymer-additive-based grain boundary (GB) passivation approach that suppresses the ion migration. Polycaprolactone (PCL) was incorporated into the MAPI FET as a GB-passivation additive as confirmed by scanning electron and atomic force microscopies. Unlike the typical n-type behavior and large transfer hysteresis in the starting, pristine MAPI FETs, the GB passivation by PCL led to a drastically reduced hysteresis in FET transfer characteristics, while hinting at an ambipolar transport and slight improvement in mobility, indicating a reduced ion migration in the PCL-incorporated MAPI FET. The effect of PCL GB passivation in suppressing ion migration was directly confirmed by the measured, increased activation energy for ion migration in the PCL-incorporated MAPI. Here, the results not only represent the first report of the polymer-additive-based mitigation of the ion migration in the MAPI FET but also suggest potential utilities of the approach for enabling high-performance OIHP FETs and electronic devices in general.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2020

Mixed-flow design for microfluidic printing of two-component polymer semiconductor systems

The rational creation of two-component conjugated polymer systems with high levels of phase purity in each component is challenging but crucial for realizing printed soft-matter electronics. Here, we report a mixed-flow microfluidic printing (MFMP) approach for two-component π -polymer systems that significantly elevates phase purity in bulk-heterojunction solar cells and thin-film transistors. MFMP integrates laminar and extensional flows using a specially microstructured shear blade, designed with fluid flow simulation tools to tune the flow patterns and induce shear, stretch, and pushout effects. This optimizes polymer conformation and semiconducting blend order as assessed by atomic force microscopy (AFM), transmission electron microscopy (TEM), grazing incidence wide-angle X-ray scattering (GIWAXS), resonant soft X-ray scattering (R-SoXS), photovoltaic response, and field effect mobility. For printed all-polymer (poly[(5,6-difluoro-2-octyl-2H-benzotriazole-4,7-diyl)-2,5-thiophenediyl[4,8-bis[5-(2-hexyldecyl)-2-thienyl]benzo[1,2-b:4,5-b′]dithiophene-2,6-diyl]-2,5-thiophenediyl]) [J51]:(poly{[N,N′-bis(2-octyldodecyl)naphthalene-1,4,5,8-bis(dicarboximide)-2,6-diyl]-alt-5,5′-(2,2′-bithiophene)}) [N2200]) solar cells, this approach enhances short-circuit currents and fill factors, with power conversion efficiency increasing from 5.20% for conventional blade coating to 7.80% for MFMP. Moreover, the performance of mixed polymer ambipolar [poly(3-hexylthiophene-2,5-diyl) (P3HT):N2200] and semiconducting:insulating polymer unipolar (N2200:polystyrene) transistors is similarly enhanced, underscoring versatility for two-component π -polymer systems. Mixed-flow designs offer modalities for achieving high-performance organic optoelectronics via innovative printing methodologies.

42 ENGINEERING↗

DOE OSTI2023

Electron kinetics in a positive column of AC discharges in a dynamic regime

Abstract We have performed hybrid kinetic-fluid simulations of a positive column in alternating current (AC) argon discharges over a range of driving frequencies f and gas pressure p for the conditions when the spatial nonlocality of the electron energy distribution function (EEDF) is substantial. Our simulations confirmed that the most efficient conditions of plasma maintenance are observed in the dynamic regime when time modulations of mean electron energy (temperature) are substantial. The minimal values of the root mean square electric field and the electron temperature have been observed at f/p values of about 3 kHz Torr −1 in a tube of radius R = 1 cm. The ionization rate and plasma density reached maximal values under these conditions. The numerical solution of a kinetic equation allowed accounting for the kinetic effects associated with spatial and temporal nonlocality of the EEDF. Using the kinetic energy of electrons as an independent variable, we solved an anisotropic tensor diffusion equation in phase space. We clarified the role of different flux components during electron diffusion in phase space over surfaces of constant total energy. We have shown that the kinetic theory uncovers a more exciting and rich physics than the classical ambipolar diffusion (Schottky) model. Non-monotonic radial distributions of excitation rates, metastable densities, and plasma density have been observed in our simulations at pR > 6 Torr cm. The predicted off-axis plasma density peak in the dynamic regime has never been observed in experiments so far. We hope our results stimulate further experimental studies of the AC positive column. The kinetic analysis could help uncover new physics even for such a well-known plasma object as a positive column in noble gases.

Physics↗

DOE OSTI2022

Effect of Aromatic Solvents Residuals on Electron Mobility of Organic Single Crystals

Balanced electron and hole transport properties are essential for various organic electrical/optoelectrical applications such as organic solar cells, complementary circuits, and light-emitting transistors. However, the electron transport in organic semiconductor lags far behind the hole side, making it with vital significance to seek the factors that limit the electron mobility. Here, the authors demonstrate that the π-conjugated solvents, as essential components in the widely-used solution processing techniques, can significantly suppress the electron transport if they are not properly removed and trapped as residuals. Single crystals of typical p-type materials exhibit a transition from p-type behavior to ambipolar conductance via reducing the amount of solvent residuals, and the same effect is confirmed by varied p-type materials and solvents. The highest electron mobility reaches 0.027 cm 2 V –1 s –1 and 0.029 cm 2 V –1 s –1 for 6,13-bis(triisopropylsilylethynyl)pentacene and 5,15-bis(triisopropylsilylethynyl)tetrabenzoporphyrin, respectively. Finally, this work discloses the non-negligible existence of solvent residuals even in high quality, long-range ordered organic single crystals, and further provides efficient strategies to harvest the n-type behaviors of organic semiconductor materials.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Can we observe the ion-neutral drift velocity in prestellar cores?

Given the low-ionization fraction of molecular clouds, ambipolar diffusion is thought to be an integral process in star formation. However, chemical and radiative-transfer effects, observational challenges, and the fact that the ion-neutral drift velocity is inherently very small render a definite detection of ambipolar diffusion extremely non-trivial. Here, we study the ion-neutral drift velocity in a suite of chemodynamical, non-ideal magnetohydrodynamic (MHD), two-dimensional axisymmetric simulations of prestellar cores where we alter the temperature, cosmic-ray ionization rate, visual extinction, mass-to-flux ratio, and chemical evolution. Subsequently, we perform a number of non-local thermodynamic equilibrium (non-LTE) radiative-transfer calculations considering various idealized and non-idealized scenarios in order to assess which factor (chemistry, radiative transfer, and/or observational difficulties) is the most challenging to overcome in our efforts to detect the ion-neutral drift velocity. We find that temperature has a significant effect in the amplitude of the drift velocity with the coldest modelled cores (T = 6 K) exhibiting drift velocities comparable to the sound speed. Against expectations, we find that in idealized scenarios (where two species are perfectly chemically co-evolving) the drift velocity ‘survives’ radiative-transfer effects and can in principle be observed. However, we find that observational challenges and chemical effects can significantly hinder our view of the ion-neutral drift velocity. Finally, we propose that HCN and HCNH + ⁠, being chemically co-evolving, could be used in future observational studies aiming to measure the ion-neutral drift velocity.

79 ASTRONOMY AND ASTROPHYSICS↗