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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Coverage-dependent structures and thermodynamic stability of intercalated Gd layers beneath buffer-layer graphene on SiC(0001)

Electronic properties of two-dimensional (2D) materials are strongly influenced by their atomic arrangements, making the theoretically-aided characterization of experimentally-synthesized 2D structures crucial. Using first-principles density functional theory, we analyze nearly 200 configurations of intercalated Gd layers beneath buffer-layer graphene on SiC(0001) over a Gd coverage range of 0.01 < θ < 1.2. By fully relaxing selectively-constructed configurations at each coverage within a large, low-strain supercell, we determine the coverage dependence of the chemical potential for intercalated Gd structures. Thermodynamically-preferred configurations below θ ≈ 0.8 form single-atom-thick monolayers, while 3D-like or multilayer structures emerge beyond θ ≈ 0.9. Most structures are amorphous-like, including the configuration at the chemical potential minimum around θ ≈ 0.4. In contrast, a strongly stretched Gd(0001)-like monolayer at θ = 1/3 and a nearly perfect Gd(0001) monolayer at θ = 1 are significantly less favorable with 0.16 eV and 0.82 eV higher chemical potentials above the minimum, respectively. Furthermore, the graphene layer decoupled by intercalated Gd near the chemical potential minimum is significantly flatter compared to its morphology above intercalated 3D structures at higher coverages and nearly isolated Gd atoms in the lowest coverage region. In conclusion, these findings align with our experimental results and underscore the need for further research on this unique intercalated system, which holds significant potential for diverse applications.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Micro-Tubular Solid Oxide Fuel Cell Polarization and Impedance Variation With Thin Porous Samarium-Doped Ceria and Gadolinium-Doped Ceria Buffer Layer Thickness

Abstract Porous buffer layers for anode-supported solid oxide fuel cells (SOFCs) have been investigated for many years with different thicknesses of the buffer layer in each study. In this work, micro-tubular SOFCs having samarium-doped ceria (SDC) and gadolinium-doped ceria (GDC) buffer layers are compared using the current–voltage technique, electrochemical impedance spectroscopy, scanning electron microscopy, and energy-dispersive X-ray spectroscopy. The thickness of the porous SDC and GDC buffer layer is investigated systematically with the thickness varying between 0.3 and 2.0 μm. The power density varies between 212 and 1004 mW/cm2 for samples having different SDC buffer layer thickness. Comparable changes occur for the SOFCs with a GDC buffer layer, but less variation in polarization losses resulted. Variation in electrochemical performance varies due to changes in ohmic resistance, cathode activation polarization, and interfacial reactions between the cathode and electrolyte materials.

Electrochemistry↗
DOE OSTI2021

Solar cell comprising an oxide-nanoparticle buffer layer and method of fabrication

A buffer layer for protecting an organic layer during high-energy deposition of an electrically conductive layer is disclosed. Buffer layers in accordance with the present invention are particularly well suited for use in perovskite-based single-junction solar cells and double-junction solar cell structures that include at least one perovskite-based absorbing layer. In some embodiments, the buffer layer comprises a layer of oxide-based nanoparticles that is formed using solution-state processing, in which a solution comprising the nanoparticles and a volatile solvent is spin coated onto a structure that includes the organic layer. The solvent is subsequently removed in a low-temperature process that does not degrade the organic layer.

Bush, Kevin Alexander↗
DOE OSTI2023

SnO2 Buffer Layers for High Efficiency CdSeTe/CdTe Devices

SnO2 buffer layers of different thickness were deposited onto TEC 15 Fluorine doped tin oxide coated glass substrates using rf magnetron sputtering. The buffer layers were then incorporated into Cu-doped CdSeTe/CdTe devices using a range of CdCl 2 activation treatments and CuCl2 annealing temperatures to determine the effects of buffer layer thickness on device performance. Results show that all devices fabricated with thinner buffer layers resulted in much better J - V characteristics than their thicker counterparts. This was mainly due to a reduced open-circuit voltage (Voc) when using thicker buffer layers. The best device produced a conversion efficiency of 16.59%, fill factor of 71.62%, Jsc of 28.44 mA/cm 2 and Voc of 814.23 mV.

buffer layers↗
DOE OSTI2019

Simulation of double buffer layer on CIGS solar cell with SCAPS software

In a CIGS thin film solar cell, the buffer layer is interposed between the absorber layer and the window layer, which plays an important role in interface electricity. CdS is often used as a buffer layer in CIGS cells. Beside the toxicity of Cd, the main drawback of CdS is its relatively narrow band gap (2.4 eV), which can lead to the current loss due to parasitic absorption. In order to reduce the use of CdS, we try other buffer layers instead of CdS and optimize buffer layer structure. Numerical simulation has been used to explore the effect of different buffer layer materials (CdS and ZnSe) on the performance of CuInGaSe{sub 2} solar cells with SCAPS-1D software. The main photovoltaic parameters of the analog device: open circuit voltage, short circuit current density, fill factor and conversion efficiency (η) were compared and analyzed. The results show that different buffer materials and thickness have great influence on the performance of the cell. In this simulation, CdS buffer layer was replaced by ZnSe material, which has a wider band gap. However, the efficiency of this kind of cell is lower than that of CIGS device with CdS buffer layer because of the bad energy band alignment. In order to improve the short-wave absorption and the efficiency of CIGS cell, we simulated a novel CdS/ZnSe double buffer layer structure. The efficiency of the optimized cell with double buffer layer increases from 18.47% (conventional cell with the same CdS buffer layer thickness) to 19.01%.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Selective excitation of window and buffer layers in chalcopyrite devices and modules

Window and buffer layers in chalcopyrite devices are well known to affect junctions, conduction, and photo-absorption properties of the device. Some of these layers, particularly 'buffers,' which are deposited directly on top of the absorber, exhibit metastable effects upon exposure to light. Thus, to understand device performance and/or metastability, it is sometimes desirable to selectively excite different layers in the device stack. Absorption characteristics of various window and buffer layers used in chalcopyrite devices are measured. These characteristics are compared with emission spectra of common and available light sources that might be used to optically excite such layers. Effects of the window and buffer absorption on device quantum efficiency and metastability are discussed. For the case of bath-deposited Zn(O,S) buffers, we conclude that this layer is not optically excited in research devices or modules. Furthermore, this provides a complimentary mechanism to the chemical differences that may cause long time constants (compared to devices with CdS buffers) associated with reaching a stable 'light-soaked' state.

14 SOLAR ENERGY↗
DOE OSTI2018

Near-Infrared InGaN Alloys Grown on High-In-Composition InGaN Buffer Layer

Near-infrared InGaN alloys were grown on a strain-relaxed high-In-composition InGaN buffer layer based on GaN/sapphire substrate by plasma assisted molecular beam epitaxy. The In compositions of the InGaN light emitting layer and buffer layer determined by X-ray diffraction analysis are 56.7 and 61.1%, respectively. Transmission electron microscopy result shows that no dislocations newly generated at the interface of the InGaN structure layer and the underlying InGaN buffer layer can be observed obviously. The cathodoluminescence spectra exhibit two strong emission peaks at the near-infrared wavelengths of 1090 and 1200 nm, which can be attributed to intrinsic transition and recombination processes of the fabricated InGaN alloys according to the calculation using the energy versus composition equation with a reasonable bowing parameter.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Organic optoelectronics with electrode buffer layers

There is disclosed an organic optoelectronic device comprising two electrodes in superposed relation comprising an anode and a cathode, at least one donor material and at least one acceptor material located between the two electrodes forming a donor-acceptor heterojunction, an anode buffer layer adjacent to the anode and a cathode buffer layer adjacent to the cathode, and an intermediate layer adjacent to at least one of the anode and cathode buffer layers, wherein when the intermediate layer is adjacent to the anode buffer layer, the intermediate layer is chosen to facilitate the transport of holes to the anode buffer layer, and when the intermediate layer is adjacent to the cathode buffer layer, the intermediate layer is chosen to facilitate the transport of electrons to the cathode buffer layer. Also disclosed are methods of making the same.

36 MATERIALS SCIENCE↗
DOE OSTI2017

AlGaN/GaN High Electron Mobility Transistor Grown and Fabricated on ZrTi Metallic Alloy Buffer Layers

AlGaN/GaN high electron mobility transistors (HEMTs) were demonstrated for structures grown on ZrTi metallic alloy buffer layers, which provided lattice matching of the in-plane lattice parameter (“a-parameter”) to hexagonal GaN. The quality of the GaN buffer layer and HEMT structure were confirmed with X-ray 2θ and rocking scans as well as cross-section transmission electron microscopy (TEM) images. The X-ray 2θ scans showed full widths at half maximum (FWHM) of 0.06°, 0.05° and 0.08° for ZrTi alloy, GaN buffer layer, and the entire HEMT structure, respectively. TEM of the lower section of the HEMT structure containing the GaN buffer layer and the AlN/ZrTi/AlN stack on the Si substrate showed that it was important to grow AlN on the top of ZrTi prior to growing the GaN buffer layer. Finally, the estimated threading dislocation (TD) density in the GaN channel layer of the HEMT structure was in the 10 8 cm -2 range.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Life cycle of streaks in the buffer layer of wall-bounded turbulence

In this work, streaks in the buffer layer of wall-bounded turbulence are tracked in time to study their life cycle. Spatially and temporally resolved direct numerical simulation data are used to analyze the strong wall-parallel movements conditioned to low-speed streamwise flow. The analysis of the streaks shows that there is a clear distinction between wall-attached and detached streaks, and that the wall-attached streaks can be further categorized into streaks that are contained in the buffer layer and the ones that reach the outer region. The results reveal that streaks are born in the buffer layer, coalescing with each other to create larger streaks that are still attached to the wall. Once the streak becomes large enough, it starts to meander due to the large streamwise-to-wall-normal aspect ratio, and consequently the elongation in the streamwise direction, which makes it more difficult for the streak to be oriented strictly in the streamwise direction. While the continuous interaction of the streaks allows the superstructure to span extremely long temporal and length scales, individual streak components are relatively small and short-lived. Tall-attached streaks eventually split into wall-attached and wall-detached components. These wall-detached streaks have a strong wall-normal velocity away from the wall, similar to ejections or bursts observed in the literature. Conditionally averaging the flow fields to these split events show that the detached streak has not only a larger wall-normal velocity compared to the wall-attached counterpart, it also has a larger (less negative) streamwise velocity, similar to the velocity field at the tip of a vortex cluster.

42 ENGINEERING↗
DOE OSTI2018

High spin polarization in epitaxial Fe 4 N thin films using Cr and Ag as buffer layers

Fe 4 N thin films with (001) texture were prepared by reactive sputtering on MgO substrates, utilizing either a Cr or Ag buffer layer to facilitate the epitaxial growth. X-ray diffraction, atomic force microscopy, and vibrating sample magnetometry measurements show that the Fe 4 N thin film grown on the Ag buffer layer is superior to that grown on the Cr buffer layer. The point contact Andreev reflection measurement was then conducted, and the spin polarizations were determined to be 61.1% and 81.3% for Fe 4 N thin films with Cr and Ag buffer layers, respectively. The 81.3% spin polarization is significantly higher than the ratio reported previously for Fe 4 N and is comparable with that of state-of-the-art Heusler alloys. This result is in agreement with the theoretical prediction on the discrepancy between the two differently defined spin polarizations for Fe 4 N. Moreover, our study indicates that an optimized growth process for Fe 4 N thin films is crucial for achieving a high spin polarization and that true half-metallicity could potentially be realized with Fe 4 N. Furthermore the high spin polarization of Fe 4 N combined with its low fabrication temperature and simple composition makes Fe 4 N a competitive candidate to be a half-metallic ferromagnet in spintronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Improvement of the CIGS solar cell performance: structure based on a ZnS buffer layer

Cu(In,Ga)Se{sub 2} (CIGS) based thin film solar cells are the most efficient thin-film solar cells today. The non-toxic and wide band-gap zinc sulphide (ZnS) is a promising material to replace the cadmium sulfide (CdS) as the buffer layer in CIGS based solar cells. In this work we present a simulation study of a CIGS based solar cell with a buffer layer of ZnS, using the simulator Silvaco-Atlas. Our primary simulation shows a 22.6% efficiency of the CIGS solar cell with the CdS buffer layer which is comparable to reported and highest experimental results. However, the simulated efficiency of the CIGS solar cell with the ZnS buffer layer as high as 23.54% was achieved. The effects of layer parameters like the thickness, the acceptor and donor densities of the CIGS absorber and ZnS buffer layers and the CBO on the photovoltaic parameters of the ZnS/CIGS solar cell are optimized in order to improve the performance of the ZnS/CIGS solar cell. The highest efficiency of 27.33% is achieved when the ZnS buffer and the CIGS absorber layers have thicknesses of 0.025 µm and 4 µm with acceptor and donor densities of 6 × 10{sup 17} cm{sup −3} and 10{sup 18} cm{sup −3}, respectively and a CBO in the range − 0.05 to 0.05 eV. The present results of simulation can help the development of the solar cells with higher conversion efficiency and low cost.

14 SOLAR ENERGY↗
DOE OSTI2022

Microstructure of irradiated AGR TRISO particle buffer layers as measured by X-ray computed tomography

Shrinkage of the initially low-density buffer layer in tristructural isotropic (TRISO) coated fuel particles during irradiation is a well-known phenomenon with potential implications for fission product and actinide transport, as well as potential pyrocarbon fracture that in some cases has been observed to impact particle performance. During post-irradiation examination, the buffer layer's structure is commonly determined using 2D microscopy of a particle cross section or a series of particle cross sections at staggered depths. Although these methods provide a general idea of the irradiated buffer microstructure, they do not provide a full picture of the TRISO coating microstructure. By contrast, x-ray computed tomography (XCT) provides full 3D imaging of the TRISO particle. Particles from various compacts irradiated for the Advanced Gas Reactor Fuel Development and Qualification Program were imaged using XCT. Some of these particles were selected because of abnormal fission product inventories (e.g., low 137 Cs), whereas others were randomly selected from the center of the fission product inventory distribution. Qualitative and quantitative analysis techniques were applied to the randomly selected particles as representatives of typical TRISO behavior to study the post-irradiation structure of the buffer layer. These results showed that, while separation of the buffer and inner pyrolytic carbon layers was a common behavior during the radiation-induced shrinkage of the buffer, a portion of the original buffer/inner pyrolytic carbon interface remained intact throughout irradiation in nearly all cases. Furthermore, these results also indicated clear trends in the degree of buffer densification with irradiation temperature and fluence.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Degradation of Mg-doped zinc oxide buffer layers in thin film CdTe solar cells

Cadmium Sulphide is the conventional n-type buffer layer used in thin film Cadmium Telluride solar cells. It is well known that Cadmium Sulphide causes optical losses and sulphur diffuses into the absorber during high temperature activation. Sputter-deposited Mg-doped ZnO (MZO) has been shown to be an attractive buffer layer for Cadmium Telluride solar cells due to its transparency and tuneable band gap. It is also stable to high temperature processing and avoids diffusion of elements into the cadmium telluride absorber during the cadmium chloride activation treatment. However, degradation is observed in solar cells incorporating MZO buffer layers. Analysis of the MZO film surface potential has revealed significant fluctuations in the thin film work function once the layer is exposed to the atmosphere following deposition. These fluctuations are attributed to the high reactivity to water vapour of the MgO contained in the MZO films. This has been analysed using X-ray Photoelectron Spectroscopy to determine corresponding changes in the surface chemistry. The Zinc Oxide component is relatively stable, but the analysis shows that MgO forms a Mg(OH) 2 layer on the MZO surface which forms a secondary barrier at the MZO/CdTe interface and/or at the interface between MZO and the Fluorine-doped SnO 2 . This affects the Fill Factor and as a consequence it degrades the conversion efficiency.

14 SOLAR ENERGY↗
DOE OSTI2022

Epitaxial Electrodeposition of Wide Bandgap Cuprous Bromide on Silver via a Silver Bromide Buffer Layer

Cuprous halides are an important class of wide bandgap p-type semiconductors used in opto-electronics. Cuprous bromide (CuBr) shows potential for short-wavelength devices due to a large exciton binding energy (108 meV) and near-ultraviolet bandgap (3.1 eV). However, the growth of high-quality epitaxial CuBr films by electrodeposition has remained a challenge. Here, we introduce a low-cost electrochemical procedure for producing epitaxial CuBr(111) on a Ag(111) substrate by a [111]-oriented silver bromide (AgBr) buffer layer. The AgBr buffer layer forms during the electrodeposition of the CuBr. The mismatch between CuBr(111) and AgBr(111) is –1.3%. A plausible mechanism for nucleation and growth of the epitaxial CuBr is proposed. X-ray techniques including high resolution X-ray diffraction and X-ray pole figures are used to determine the epitaxial relationship. CuBr(100) is also produced on a Ag(100) surface by a AgBr(100) buffer layer that is rotated in-plane 45° relative to the Ag(100) surface. In conclusion, this in-plane rotation reduces the lattice mismatch from +39.5% for an unrotated film to –1.4% for a 45° rotated film.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗