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At least 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Interface modified thermally stable hole transporting layer for efficient organic light emitting diodes

Electrical transport in thermally stable 2, 7-bis [N, N-bis (4-methoxy-phenyl) amino]-9, 9-spirobifluorene (MeO-Spiro-TPD) thin films has been investigated as a function of temperature and organic layer thickness. ITO/MeO-Spiro-TPD interface was found to be injection limited and has been studied in detail to find barrier height for hole injection. The thickness of tetra-fluoro-tetracyano-quinodimethane thin films were optimized to be used as hole injection buffer layer which resulted in switching of charge transport mechanism from injection limited to space charge limited conduction above a critical thickness of 3 nm. Hole mobility has been measured using transient space charge limited conduction (SCLC), field dependent SCLC, and top contact transistor characteristics. The charge carrier transport in interface modified hole only devices was analysed using Gaussian disorder model. The thermal stability of MeO-Spiro-TPD has been investigated by atomic force microscopy and X-ray diffraction studies. The study indicates a thermally stable and highly efficient hole transport material for application in organic semiconductor based devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Virtual Substrates for Wide Bandgap AlyX1-yN Growth

Lattice-matched substrates are critical for growth of high quality, compositionally-targeted ternary AlyX1-yN compounds with properties suitable for a wide variety of next-generation opto- and power electronic applications. [DOI:10.1149/2.0111702jss] We have identified the (111) plane of transition metal carbides and nitrides as lattice matched "virtual" substrate layers that have additional benefits of electrical conductivity and appropriate coefficients of thermal expansion for nitride layer at both growth and operating temperatures. [arXiv:2208.11769 2022] In this work, (111)-oriented TaC and ZrN are grown by RF sputtering and optimized as substrate layers for AlyGa1-yN and AlyGd1-yN, respectively. TaC is demonstrated as a full proof of concept. (111)-stabilized TaC layers with a rock-salt crystal structure are annealed to improve surface crystal quality and surface morphology and then used as a template for growth of an Al0.7Ga0.3N layer by molecular beam epitaxy. X-ray diffraction (XRD) demonstrates epitaxial registry of the grown layer to the substrate. High resolution transmission electron microscopy (TEM) is used to investigate interface behavior, showing regions of abrupt interface transitions and nitrogen polar termination of the Al0.7Ga0.3N. We also grew (111)-oriented ZrN on Ti-Zr-N graded buffer layers as a lattice-matched virtual substrate for AlyGd1-yN. Structure, morphology, and strain are analyzed using XRD and atomic force microscopy. Structure and quality of initial Al0.8Gd0.2N thin films are investigated for both in-situ and ex-situ growths.

AlyX1-yN↗
DOE OSTI2017

Solid state synthesis of Mn{sub 5}Ge{sub 3} in Ge/Ag/Mn trilayers: Structural and magnetic studies

The thin-film solid-state reaction between elemental Ge and Mn across chemically inert Ag layers with thicknesses of (0, 0.3, 1 and 2.2 µm) in Ge/Ag/Mn trilayers was studied for the first time. The initial samples were annealed at temperatures between 50 and 500 °C at 50 °C intervals for 1 h. The initiation temperature of the reaction for Ge/Mn (without a Ag barrier layer) was ~ 120 °C and increased slightly up to ~ 250 °C when the Ag barrier layer thickness increased up to 2.2 µm. In spite of the Ag layer, only the ferromagnetic Mn{sub 5}Ge{sub 3} compound and the Nowotny phase were observed in the initial stage of the reaction after annealing at 500 °C. The cross-sectional studies show that during Mn{sub 5}Ge{sub 3} formation the Ge is the sole diffusing species. The magnetic and cross-sectional transmission electron microscopy (TEM) studies show an almost complete transfer of Ge atoms from the Ge film, via a 2.2 µm Ag barrier layer, into the Mn layer. We attribute the driving force of the long-range transfer to the long-range chemical interactions between reacting Mn and Ge atoms. - Graphical abstract: The direct visualization of the solid state reaction between Mn and Ge across a Ag buffer layer at 500 °C. - Highlights: • The migration of Ge, via an inert 2.2 µm Ag barrier, into a Mn layer. • The first Mn{sub 5}Ge{sub 3} phase was observed in reactions with different Ag layers. • The Ge is the sole diffusing species during Mn{sub 5}Ge{sub 3} formation • The long-range chemical interactions control the Ge atomic transfer.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Selective-area growth and magnetic characterization of MnAs/AlGaAs nanoclusters on insulating Al{sub 2}O{sub 3} layers crystallized on Si(111) substrates

We report on selective-area metal-organic vapor phase epitaxy and magnetic characterization of coupled MnAs/AlGaAs nanoclusters formed on thin Al{sub 2}O{sub 3} insulating layers crystallized on Si(111) substrates. Cross-sectional transmission electron microscopy reveals that poly-crystalline γ-Al{sub 2}O{sub 3} grains are formed after an annealing treatment of the amorphous Al{sub 2}O{sub 3} layers deposited by atomic layer deposition on Si(111) substrates. The 〈111〉 direction of the γ-Al{sub 2}O{sub 3} grains tends to be oriented approximately parallel to the 〈111〉 direction of the Si substrate. We observe that hexagonal MnAs nanoclusters on AlGaAs buffer layers grown by selective-area metal-organic vapor phase epitaxy on partially SiO{sub 2}-masked Al{sub 2}O{sub 3} insulator crystallized on Si(111) substrates are oriented with the c-axis along the 〈111〉 direction of the substrates, but exhibit a random in-plane orientation. A likely reason is the random orientation of the poly-crystalline γ-Al{sub 2}O{sub 3} grains in the Al{sub 2}O{sub 3} layer plane. Magnetic force microscopy studies at room temperature reveal that arrangements of coupled MnAs nanoclusters exhibit a complex magnetic domain structure. Such arrangements of coupled MnAs nanoclusters may also show magnetic random telegraph noise, i.e., jumps between two discrete resistance levels, in a certain temperature range, which can be explained by thermally activated changes of the complex magnetic structure of the nanocluster arrangements.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Hybrid planar-mixed heterojunction for organic photovoltaics

Disclosed herein are organic photosensitive optoelectronic devices comprising two electrodes in superposed relation; a mixed photoactive layer located between the two electrodes, wherein the mixed photoactive layer comprises at least one donor material having a HOMO energy and at least one acceptor material having a LUMO energy, wherein the at least one donor material and the at least one acceptor material form a mixed donor-acceptor heterojunction; a photoactive layer adjacent to and interfacing with the mixed photoactive layer, wherein the photoactive layer comprises a material having a LUMO energy within 0.3 eV of the LUMO energy of the at least one acceptor material or a HOMO energy within 0.3 eV of the HOMO energy of the at least one donor material; and a buffer layer adjacent to and interfacing with the mixed photoactive layer.

Forrest, Stephen R.↗
DOE OSTI2014

Epitaxial c-axis oriented BaTiO{sub 3} thin films on SrTiO{sub 3}-buffered Si(001) by atomic layer deposition

Atomic layer deposition (ALD) of epitaxial c-axis oriented BaTiO{sub 3} (BTO) on Si(001) using a thin (1.6 nm) buffer layer of SrTiO{sub 3} (STO) grown by molecular beam epitaxy is reported. The ALD growth of crystalline BTO films at 225 °C used barium bis(triisopropylcyclopentadienyl), titanium tetraisopropoxide, and water as co-reactants. X-ray diffraction (XRD) reveals a high degree of crystallinity and c-axis orientation of as-deposited BTO films. Crystallinity is improved after vacuum annealing at 600 °C. Two-dimensional XRD confirms the tetragonal structure and orientation of 7–20-nm thick films. The effect of the annealing process on the BTO structure is discussed. A clean STO/Si interface is found using in-situ X-ray photoelectron spectroscopy and confirmed by cross-sectional scanning transmission electron microscopy. The capacitance-voltage characteristics of 7–20 nm-thick BTO films are examined and show an effective dielectric constant of ∼660 for the heterostructure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Low-cost spray-processed Ag{sub 1−x}Cu{sub x}InS{sub 2} nano-films: Structural and functional investigation within the Lattice Compatibility Theory framework

Highlights: • Cu{sub x}Ag{sub 1−x}InS{sub 2} with a minimal lattice mismatch between absorbers and buffers. • The lattice compatibility for understanding silver–copper kinetics. • Controlled and enhanced spray pyrolisis method as a low-cost synthesis protocol. - Abstract: This work deals with some structural and optical investigations about Cu{sub x}Ag{sub 1−x}InS{sub 2} alloys sprayed films and the beneficial effect of copper incorporation in AgInS{sub 2} ternary matrices. The main purpose of this work is to obtain the band gap energy E{sub g} as well as different lattice parameters. The studied properties led to reaching minimum of lattice mismatch between absorber and buffer layers within solar cell devices. As a principal and original finding, the lattice compatibility between both silver and copper indium disulfide structures has been proposed as a guide for understanding kinetics of these materials crystallization.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Strain-balanced Si/SiGe type-II superlattices for near-infrared photodetection

Strain balanced silicon-silicon germanium type-II superlattice p-i-n photodetectors grown on a silicon germanium relaxed buffer layer are shown to exhibit an absorption band that extends beyond 0.7 eV (λ = 1.77 μm) with dark current densities of 27 μA cm{sup −2}. Simulations of the absorption edge, which are based on x-ray diffraction characterization, low observed dark current densities, and low dislocation densities, are consistent with fully strained heterostructures. Potential applications for devices made from this heterostructure design could include integrated silicon detectors, or low-noise absorption regions for infrared-extended silicon based avalanche photodiodes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Dislocation gliding and cross-hatch morphology formation in AIII-BV epitaxial heterostructures

An approach for understanding the origin of cross-hatch pattern (CHP) on the surface of lattice mismatched GaMnAs/InGaAs samples grown on GaAs (001) substrates is developed. It is argued that the motion of threading dislocations in the (111) slip planes during the relaxation of InGaAs buffer layer is more complicated process and its features are similar to the ones of dislocation half-loops gliding in plastically deformed crystals. The heterostructures were characterized by atomic force microscopy and electron beam induced current (EBIC). Detailed EBIC experiments revealed contrast features, which cannot be accounted for by the electrical activity of misfit dislocations at the buffer/substrate interface. We attribute these features to specific extended defects (EDs) generated by moving threading dislocations in the partially relaxed InGaAs layers. We believe that the core topology, surface reconstruction, and elastic strains from these EDs accommodated in slip planes play an important role in the CHP formation. The study of such electrically active EDs will allow further understanding of degradation and changes in characteristics of quantum devices based on strained heterostructures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Stabilizing new bismuth compounds in thin film form [Stabilizing new thin film materials in bismuth compounds]

Growth of unexpected phases from a composite target of BiFeO 3 :BiMnO 3 and/or BiFeO 3 :BiCrO 3 has been explored using pulsed laser deposition. The Bi 2 FeMnO 6 tetragonal phase can be grown directly on SrTiO 3 (STO) substrate, while two phases (S1 and S2) were found to grow on LaAlO 3 (LAO) substrates with narrow growth windows. However, introducing a thin CeO 2 buffer layer effectively broadens the growth window for the pure S1 phase, regardless of the substrate. Moreover, we discovered two new phases (X1 and X2) when growing on STO substrates using a BiFeO 3 :BiCrO 3 target. Pure X2 phase can be obtained on CeO 2 -buffered STO and LAO substrates. This work demonstrates that some unexpected phases can be stabilized in a thin film form by using composite perovskite BiRO 3 (R = Cr, Mn, Fe, Co, Ni) targets. Moreover, it also indicates that CeO 2 can serve as a general template for the growth of bismuth compounds with potential room-temperature multiferroicity.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Interfacial Engineering Enabled Novel Bi-Based Layered Oxide Supercells with Modulated Microstructures and Tunable Physical Properties

Two-dimensional layered materials hold great significance to fundamental scientific research and future nanoscale device applications. Besides the well-studied graphene and dichalcogenides, oxide-based layered materials are another family attracting significant research interests, for example, the Bi-based Bi 3 Fe 2 Mn 2 O 10-δ layered supercell (called BFMO322 SC) structure. BFMO322 SC is an excellent room-temperature multiferroic material, but its growth mechanism is unclear. In this work, Bi 2 Fe 1–x Mn x O 6 thin films with different Fe/Mn molar ratios were deposited on CeO 2 buffer layers by pulsed laser deposition. By varying the Fe/Mn molar ratios, it has been determined that Mn can favor the growth of Bi-based layered structures, while Fe cannot facilitate the growth. A series of novel layered supercell structures can be obtained by manipulating the growth kinetics at the substrate/film interface, as achieved by precisely controlling the growth conditions. More interestingly, the magnetization and optical band gap of the Bi-based layered structures can be tuned by varying the Fe/Mn molar ratios. This original work has demonstrated the power of interfacial engineering in enabling new Bi-based layered structures and thus is of great significance for the design of new layered structures with multifunctionalities.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Interfacial chemical reaction and multiple gap state formation on three layer cathode in organic light-emitting diode: Ca/BaF{sub 2}/Alq{sub 3}

A three layer cathode is a promising stack structure for long lifetime and high efficiency in organic light-emitting diodes. The interfacial chemical reactions and their effects on electronic structures for alkaline-earth metal (Ca, Ba)/Alq{sub 3} [tris(8-hydroxyquinolinato)aluminum] and Ca/BaF{sub 2}/Alq{sub 3} are investigated using in-situ X-ray and ultraviolet photoelectron spectroscopy, as well as molecular model calculation. The BaF{sub 2} interlayer initially prevents direct contact between Alq{sub 3} and the reactive Ca metal, but it is dissociated into Ba and CaF{sub 2} by the addition of Ca. As the Ca thickness increases, the Ca penetrates the interlayer to directly participate in the reaction with the underlying Alq{sub 3}. This series of chemical reactions takes place irrespective of the BaF{sub 2} buffer layer thickness as long as the Ca overlayer thickness is sufficient. The interface reaction between the alkaline-earth metal and Alq{sub 3} generates two energetically separated gap states in a sequential manner. This phenomenon is explained by step-by-step charge transfer from the alkaline-earth metal to the lowest unoccupied molecular orbital states of Alq{sub 3}, forming new occupied states below the Fermi level.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Impact of strain on electronic defects in (Mg,Zn)O thin films

We have investigated the impact of strain on the incorporation and the properties of extended and point defects in (Mg,Zn)O thin films by means of photoluminescence, X-ray diffraction, deep-level transient spectroscopy (DLTS), and deep-level optical spectroscopy. The recombination line Y₂, previously detected in ZnO thin films grown on an Al-doped ZnO buffer layer and attributed to tensile strain, was exclusively found in (Mg,Zn)O samples being under tensile strain and is absent in relaxed or compressively strained thin films. Furthermore a structural defect E3´ can be detected via DLTS measurements and is only incorporated in tensile strained samples. Finally it is shown that the omnipresent deep-level E3 in ZnO can only be optically recharged in relaxed ZnO samples.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Atom-scale covalent electrochemical modification of single-layer graphene on SiC substrates by diaryliodonium salts

Owing to its high conductivity, graphene holds promise as an electrode for energy devices such as batteries and photovoltaics. However, to this end, the work function and doping levels in graphene need to be precisely tuned. One promising route for modifying graphene’s electronic properties is via controlled covalent electrochemical grafting of molecules. We show that by employing diaryliodonium salts instead of the commonly used diazonium salts, spontaneous functionalization is avoided. This then allows for precise tuning of the grafting density. Moreover, by employing bis(4-nitrophenyl)iodonium(III) tetrafluoroborate (DNP) salt calibration curves, the surface functionalization density (coverage) of glassy carbon was controlled using cyclic voltammetry in varying salt concentrations. These electro-grafting conditions and calibration curves translated directly over to modifying single layer epitaxial graphene substrates (grown on insulating 6H-SiC (0 0 0 1)). In addition to quantifying the functionalization densities using electrochemical methods, samples with low grafting densities were characterized by low-temperature scanning tunneling microscopy (LT-STM). We show that the use of buffer-layer free graphene substrates is required for clear observation of the nitrophenyl modifications. Furthermore, atomically-resolved STM images of single site modifications were obtained, showing no preferential grafting at defect sites or SiC step edges as supposed previously in the literature. Most of the grafts exhibit threefold symmetry, but occasional extended modifications (larger than 4 nm) were observed as well.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1985

Depletion layer recombination effects on the radiation damage hardness of gallium arsenide cells

The significant effect of junction depletion layer recombination on the efficiency of windowed GaAs cells was demonstrated. The effect becomes more pronounced as radiation damage occurs. The depletion is considered for 1 MeV electron fluences up to 10 to the 16th power e/sq m. The cell modeling separates damage in emitter and base or buffer layers using different damage coefficients is reported. The lower coefficient for the emitter predicts less loss of performance at fluences greater than 10 to the 15th power e/sq cm. A method for obtaining information on junction recombination effects as damage proceeds is described; this enables a more complete diagnosis of damage to be made.

Garlick, G. F. J.↗
DOE OSTI2014

Atom-probe tomographic study of interfaces of Cu{sub 2}ZnSnS{sub 4} photovoltaic cells

The heterophase interfaces between the CdS buffer layer and the Cu{sub 2}ZnSnS{sub 4} (CZTS) absorption layers are one of the main factors affecting photovoltaic performance of CZTS cells. We have studied the compositional distributions at heterophase interfaces in CZTS cells using three-dimensional atom-probe tomography. The results demonstrate: (a) diffusion of Cd into the CZTS layer; (b) segregation of Zn at the CdS/CZTS interface; and (c) a change of oxygen and hydrogen concentrations in the CdS layer depending on the heat treatment. Annealing at 573 K after deposition of CdS improves the photovoltaic properties of CZTS cells probably because of the formation of a heterophase epitaxial junction at the CdS/CZTS interface. Conversely, segregation of Zn at the CdS/CZTS interface after annealing at a higher temperature deteriorates the photovoltaic properties.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Molybdenum Disulfide Catalytic Coatings via Atomic Layer Deposition for Solar Hydrogen Production from Copper Gallium Diselenide Photocathodes

Here, we show that applying atomic layer deposition-derived molybdenum disulfide (MoS 2 ) catalytic coatings on copper gallium diselenide (CGSe) thin film absorbers can lead to efficient wide band gap photocathodes for photoelectrochemical hydrogen production. We have prepared a device that is free of precious metals, employing a CGSe absorber and a cadmium sulfide (CdS) buffer layer, a titanium dioxide (TiO 2 ) interfacial layer, and a MoS 2 catalytic layer. The resulting MoS 2 /TiO 2 /CdS/CGSe photocathode exhibits a photocurrent onset of +0.53 V vs. RHE and a saturation photocurrent density of -10 mA cm -2 , with stable operation for greater than 5 hours in acidic electrolyte. Spectroscopic exploration of this device architecture indicate that overlayer degradation occurs inhomogeneously, ultimately exposing the underlying CGSe absorber.

08 HYDROGEN↗
DOE OSTI2015

Band energy control of molybdenum oxide by surface hydration

The application of oxide buffer layers for improved carrier extraction is ubiquitous in organic electronics. However, the performance is highly susceptible to processing conditions. Notably, the interface stability and electronic structure is extremely sensitive to the uptake of ambient water. In this study we use density functional theory calculations to asses the effects of adsorbed water on the electronic structure of MoO{sub x}, in the context of polymer-fullerene solar cells based on PCDTBT. We obtain excellent agreement with experimental values of the ionization potential for pristine MoO{sub 3} (010). We find that IP and EA values can vary by as much as 2.5 eV depending on the oxidation state of the surface and that adsorbed water can either increase or decrease the IP and EA depending on the concentration of surface water.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗