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Register a new userUnified dynamic approach for simulating quantum tunneling and thermionic emission at metal/organic interface
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Injection from metallic electrodes serves as a main channel of charge generation in organic semiconducting devices and the quantum effect is normally regarded to be essential. We develop a dynamic approach based upon the surface hopping (SH) algorithm and classical device modeling, by which both quantum tunneling and thermionic emission of charge carrier injection at metal/organic interfaces are concurrently investigated. The injected charges from metallic electrode are observed to quickly spread onto the organic molecules following by an accumulation close to the interface induced by the built-in electric field, exhibiting a transition from delocalization to localization. We compare the Ehrenfest dynamics on mean-field level and the SH algorithm by simulating the temperature dependence of charge injection dynamics, and it is found that the former one leads to an improper result that the injection efficiency decreases with increasing temperature at room-temperature regime while SH results are credible. The relationship between injected charges and the applied bias voltage suggests it is the quantum tunneling that dominates the low-threshold injection characteristics in molecular crystals, which is further supported by the calculation results of small entropy change during the injection processes. An optimum interfacial width for charge injection efficiency at the interface is also quantified and can be utilized to understand the role of interfacial buffer layer in practical devices.
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The reverse leakage current through a Schottky barrier transitions from a thermionic-emission dominated regime to a barrier-tunneling dominated regime as the surface electric field increases. In this study, we evaluate such transition electric field ($E_{rm T}$) in $beta$-Ga$_{2}$O$_{3}$ using a numerical reverse leakage model. $E_{rm T}$ is found to have very weak dependence on the doping concentration and barrier height, thus a near-universal temperature dependence suffices and is given by a simple empirical expression in Ga$_{2}$O$_{3}$. With the help of a field-plate design, we observed experimentally in Ga$_{2}$O$_{3}$ Schottky barrier diodes a near-ideal bulk reverse leakage characteristics, which matches well with our numerical model and confirms the presence of the transition region. Near the transition electric field, both thermionic emission and barrier tunneling should be considered. The study provides important guidance toward accurate design and modeling of ideal reverse leakage characteristics in $beta$-Ga$_{2}$O$_{3}$ Schottky barrier diodes.
Ferromagnetic metal-organic semiconductor (FM-OSC) hybrid interfaces have shown to play an important role for spin injection in organic spintronics. Here, 11,11,12,12-tetracyanonaptho-2,6-quinodimethane (TNAP) is introduced as an interfacial layer in Co-OSCs heterojunction with an aim to tune the spin injection. The Co/TNAP interface is investigated by use of X-ray and ultraviolet photoelectron spectroscopy (XPS/UPS), near edge X-ray absorption fine structure (NEXAFS) and X-ray magnetic circular dichroism (XMCD). Hybrid interface states (HIS) are observed at Co/TNAP interface resulting from chemical interaction between Co and TNAP. The energy level alignment at Co/TNAP/OSCs interface is also obtained, and a reduction of the hole injection barrier is demonstrated. XMCD results confirm sizeable spin polarization at the Co/TNAP hybrid interface.
Experimental observations have long-established that there exists a smooth roll-off or knee transition between the temperature-limited (TL) and full-space-charge-limited (FSCL) emission regions of the emission current density-temperature J-T (Miram) curve, or the emission current density-voltage J-V curve for a thermionic emission cathode. In this paper, we demonstrate that this experimentally observed smooth transition does not require frequently used a priori assumptions of a continuous distribution of work functions on the cathode surface. Instead, we find the smooth transition arises as a natural consequence of the physics of nonuniform thermionic emission from a spatially heterogeneous cathode surface. We obtain this smooth transition for both J-T and J-V curves using a predictive nonuniform thermionic emission model that includes 3-D space charge, patch fields (electrostatic potential nonuniformity on the cathode surface based on local work function values), and Schottky barrier lowering physics and illustrate that a smooth knee can arise from a thermionic cathode surface with as few as two discrete work function values. Importantly, we find that the inclusion of patch field effects is crucial for obtaining accurate J-T and J-V curves, and the further inclusion of Schottky barrier lowering is needed for accurate J-V curves. This finding, and the emission model provided in this paper have important implications for modeling electron emission from realistic, heterogeneous surfaces. Such modeling is important for improved understanding of the interplay of emission physics, cathode materials engineering, and design of numerous devices employing electron emission cathodes.
2D quantum confined hybrid materials are of great interest from a solid state physics standpoint because of the rich multibody phenomena hosted, their tunability and easy synthesis allowing to create material libraries. In addition, from a technological standpoint, 2D hybrids are promising candidates for efficient, tunable, low cost materials impacting a broad range of optoelectronic devices. Different approaches and materials have therefore been investigated, with the notable example of 2D metal halide hybrid perovskites. Despite the remarkable properties of such materials, the presence of toxic elements like lead are not desirable in applications and their ionic lattices may represent a limiting factor for stability under operating conditions. Alternative, non-ionic 2D materials made of non-toxic elements are therefore desirable. In order to expand the library of possible hybrid quantum wells materials, here we consider an alternative platform based on non-toxic, self-assembled, metal-organic chalcogenides. While the optical properties have been recently explored and some unique excitonic characters highlighted, photo-generation of carriers and their transport in these lamellar inorganic/organic nanostructures, critical optoelectronic aspects, remain totally unexplored. We hereby report the first electrical investigation of the air-stable [AgSePh] 2D coordination polymer in form of nanocrystal (NC) films readily synthesized in situ and at low temperature, compatible with flexible plastic substrates. The wavelength-dependent photo-response of the NC films suggests possible use of this materials as near-UV photodetector. We therefore built a lateral photo-detector, achieving a sensitivity of 0.8 A/W at 370 nm thanks to a photoconduction mechanism, and a cutoff frequency of ~400 Hz, and validated its reliability as air-stable UV detector on flexible substrates.
Inkjet printing of 8% Y2O3-stabilized ZrO2 (YSZ) thin films is achieved by designing a novel water-based reactive ink for Drop-on-Demand (DoD) inkjet printing. The ink formulation is based on a novel chemical strategy that consists of a combination of metal oxide precursors (zirconium alkoxide and yttrium salt), water and a nucleophilic agent, i.e. n-methyldiethanolamine (MDEA). This chemistry leads to metal-organic complexes with long term ink stability and high precision printability. Ink rheology and chemical reactivity are analyzed and controlled in terms of metal-organic interactions in the solutions. Thin dense nanocrystalline YSZ film below 150 nm are obtained by low temperature calcination treatments (400-500 {deg}C), making the deposition suitable for a large variety of substrates, including silicon, glass and metals. Thin films and printed patterns achieve full densification with no lateral shrinkage and high ionic conductivity.
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