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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Emission from Crystals Irradiated with a Beam of Runaway Electrons

An investigation of the spectral and amplitude-temporal characteristics of emission from different crystals, promising in terms of their application as detectors of runaway electrons, is performed. This emission is excited by subnanosecond electron beams generated in a gas diode. It is found out that at the electron energies of tens–hundreds of kiloelectronvolts, the main contribution into the emission from CsI, ZnS, type IIa artificial and natural diamonds, sapphire, CaF{sub 2}, ZrO{sub 2}, Ga{sub 2}O{sub 3}, CaCO{sub 3}, CdS, and ZnSe crystals comes from the cathodoluminescence; the radiation pulse duration depends on the crystal used and sufficiently exceeds the Cherenkov radiation pulse duration. It is demonstrated that the latter radiation exhibits low intensity and can be detected in the short-wave region of the spectrum in the cases where a monochromator and a high-sensitivity photomultiplier tube (PMT) are used.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

High-Resolution Electron Microscopy and Kinetic Studies of Precipitation Hardening Reactions in Cast Al-5.8Zn-2.2Mg-2.5Cu

Precipitation age hardening (T6) response of Al-5.8Zn-2.2Mg-2.5Cu alloy in near-net-shaped cast condition was investigated. Cast samples were manufactured using the controlled diffusion solidification (CDS) technology combined with a metallic mold tilt pour gravity casting process. This study was conducted using (1) non-isothermal aging during differential scanning calorimetry (DSC) experiments and (2) isothermal aging during which transient bulk and micro-hardness measurements taken at four aging temperatures of 343, 393, 433 and 473 K. A detailed microstructural investigation combined with a quantitative image analysis was carried out on both DSC and hardness specimens using high-resolution electron microscopy (HREM) and energy-dispersive spectroscopy (EDS) elemental mappings. Hardness measurements were analyzed using a kinetic modeling approach (single state variable combined with a kinetic equation that is valid for the Al-Zn-Mg-Cu alloys). The results confirm the formation of hardening phases of GP zone, intermediate hardening metastable phase η′ and equilibrium phase η. The results of calorimetric measurements, electron microscopy and selected area diffraction patterns are in good agreement and confirm transient precipitation/dissolution sequences. A mean value of activation energy Q{sub A} of 75 kJ/mol was evaluated for combined bulk diffusion rate of alloying elements during precipitation of strengthening phases within Al matrix.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Adenosine stress myocardial perfusion imaging in octogenarians: Safety, tolerability, and long-term prognostic implications of hemodynamic response and SPECT-related variables

Background: Evaluation of tolerability, safety, and prognostic implications of adenosine stress myocardial perfusion imaging (MPI) in octogenarians. Methods: 370 octogenarians (49% known coronary artery disease) were studied. Hemodynamic response, MPI-related data, and rest-left ventricular ejection fraction (LVEF) based on echocardiography were registered per patient, and prospective follow-up was performed to document all-cause death (ACD), cardiac death (CD), myocardial infarction (MI), and late revascularization. Results: No deaths or MIs were observed during adenosine infusion or the short-term post-infusion period. 86% of patients were able to tolerate a 6-minute infusion. All side effects terminated spontaneously after infusion cessation, except for one case of pulmonary oedema. After 9.3 years, there were 124 ACDs, 62 CDs, 16 MIs, and 35 revascularizations. Differences between survival curves of summed stress score (SSS)-based risk groups were significant for all end points (P < .001). SSS and LVEF were independent predictors of all end points (P ≤ .01) and lung uptake of cardiac end points. ΔHR <10 bpm (OR = 1.78, P = .004) and inability to increase HR by >10 bpm and decrease systolic blood pressure by >10 mmHg (OR = 2, P = .02) during adenosine infusion were independent predictors of ACD and CD, respectively. Hemodynamic response variables, SSS, and lung uptake provided incremental prognostic value over pre-test data for ACD and CD. Conclusions: In octogenarians, adenosine stress MPI is well tolerated and provides effective long-term risk stratification.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2020

Bis–Calix[4]pyrroles: Preparation, structure, complexation properties and beyond

Calix[4]pyrrole and its derivatives are key members of the supramolecular Parthenon along with other well-recognized receptor systems, such as crown ethers, cyclodextrins (CDs), cucurbiturils, calixarenes and pillararenes. Calix[4]pyrroles are relatively easy–to–make and widely recognized for their ability to bind anions and ion pairs. Many review papers relating to aspects of calix[4]pyrrole chemistry have been published within the past decades. These reviews have focused primarily on monomeric calix[4]pyrroles. The emergent area of Bis–calix[4]pyrroles, species wherein two calix[4]pyrrole subunits are linked by one or more “walls”, has not benefited from such treatment, even though the species in question often exhibit enhanced binding affinities and selectivities relative to their single calix[4[pyrrole congeners. This review is designed to summarize recent progress involving bis–calix[4]pyrroles. Advances in the design, synthesis, and coordination chemistry of bis–calix[4]pyrroles containing “one wall”, “two walls”, “three walls”, and “four walls”, as well as their possible application in ion recognition, sensing and logic gate construction, will be detailed. Lastly, the hope is that this review will provide a guide for the design and preparation of new multi-component calix[4]pyrrole receptors possessing improved recognition properties, thereby advancing host–guest chemistry in new and useful directions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Submicron-scale mineralogy of lithotypes and the implications for trace element associations: Blue Gem coal, Knox County, Kentucky

Transmission electron microscopy accompanied by energy-dispersive spectroscopy and selected area electron diffraction of density-gradient separates from two lithotypes of the low-ash, low-sulfur Blue Gem coal, eastern Kentucky, revealed an array of previously unrecognized (in this coal, and arguable in most others) sub-micron minerals, some <10 nm in size. The first sample representing the 1.22–1.24 specific gravity fraction of the middle bench contains a mineral identified as a La-, Ce-, Nd-bearing monazite; other minerals with CrFe, CuFeS, FeZn-S, and Pb; and areas, probably comprising agglomerates of several grains, if not several minerals, with concentrations of Mg, Ca, Ti, Fe, Zn, Zr, and Mo. The second sample representing the 1.30–1.31 specific gravity fraction of the basal lithotype has aggregates of particles enriched in Mg, Ca, Ti, and Fe. Individual grains not specifically quantified include CrNiMnCuFeS, AgS, and CuS. Detailed investigation of one area (most of the variation within a <4 μm 2 region) demonstrates the presence of greenockite (CdS); minute phases containing NiCoGe and AgCdBi, the latter with a more evident S association than the former; metallic Bi; nisnite (Ni 3 Sn); silver cadmium; manganosite (MnO); and siderite. Some minerals, such as the monazite, are most likely of detrital or tuffaceous origin. Many of the other assemblages could be of hydrothermal origin, a hypothesis supported by known regional geochemical and coal rank trends, but not previously demonstrated in mineral assemblages at the 10's of nm scale in this region.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2023

Advances in multi-dimensional cellulose-based fluorescent carbon dot composites

Recently, fluorescent materials composed of carbon dots (CDs) have attracted increasing attention in diverse fields, including the environment, food, biology, and medicine. Cellulose has emerged as a promising class of materials for carriers due to its low cost, fascinating biodegradability, and various morphologies, especially in available different dimensions. By taking advantage of the respective superiority of fluorescent materials and cellulose carriers, the performance of fluorescence composite materials can be optimized and their application may be extended. Here, in this review, the study emphasizes the synthesis and applications of cellulose-based fluorescent materials with different dimensions. Moreover, some effective strategies and potential challenges for further development of cellulose-based fluorescent materials are discussed. A deeper understanding will provide a guide for the materials with ideal fluorescent performances.

42 ENGINEERING↗
DOE OSTI2025

Behaviour of cadmium isotopes in sulfidic waters and sediments of the Black Sea: Implications for global cadmium cycling and the application of cadmium isotopes as a paleo-oceanographic proxy

The cadmium isotope system has found use as a tracer for biological productivity, redox and organic carbon burial in the oceans. There are, however, very few observational constraints on Cd isotopic behaviour in modern sulfidic marine conditions, limiting our understanding of the modern Cd cycle, and our ability to use Cd isotope measurements of ancient sedimentary deposits as a paleoceanographic proxy. Here we study the behaviour of dissolved Cd in the water column of the Black Sea and its incorporation into sediments on the basin floor. The isotopic composition of dissolved Cd in the upper ∼50 m of the Black Sea water column is controlled by a combination of biological uptake and regeneration along with mixing of river water and Mediterranean seawater. Cadmium declines to <2 % of its peak subsurface concentration within the zone of nitrate-reduction but above the sulfide chemocline. The isotopic composition of dissolved Cd below the sulfide chemocline evolves in a manner that is consistent with experimental Cd sulfide fractionation factors, providing field-based support for these earlier studies. In contrast, the stability of the dissolved Cd isotopic signature above the chemocline, despite a large reduction in dissolved Cd concentrations, is explained by diffusion towards the Cd-sulfide sink below the chemocline. Sediments accumulating in the deep Black Sea below the sulfide chemocline have isotopic compositions that are similar to dissolved Cd in its near-surface aqueous concentration maximum. Sediments accumulating at shallower depths have lighter isotopic compositions that are likely affected by non-sulfidic burial pathways mediated by macrofaunal mixing and diagenesis of shallow burial phases. Our study shows that the isotopic composition of bulk sediments accumulating under sulfidic conditions is similar to dissolved Cd in the upper water column, supporting its use as a paleo-chemical proxy for ancient seawater as long as basin-scale controls on open ocean seawater sources are considered. We show that Cd burial in the deep Black Sea, predominantly as CdS, accounts for ∼0.5–15 % of total annual Cd burial in the global ocean.

Biogeochemical cycles↗
DOE OSTI2023

Model predictive current profile control in tokamaks by exploiting spatially moving electron cyclotron current drives

The plasma control systems in next-generation tokamaks like ITER will balance competing control objectives to achieve the desired level of performance in advanced scenarios while preventing magnetohydrodynamic instabilities and disruptions. During normal tokamak operation, the points of incidence of the electromagnetic waves generated by the electron cyclotron heating and current drives (EC H&CDs) are usually fixed in space. However, the points of incidence can be modified in real-time by changing the angles of the mirrors that reflect the EC H&CD waves. Altering the points of incidence, in turn, varies the ability of the plasma control system to regulate a plasma property. For instance, changing the EC H&CD wave incidence location may place the power demands necessary to achieve a particular plasma target within saturation limits. Therefore, using the EC H&CD deposition location, which is related to the EC H&CD mirror angle, as a supplementary controllable variable may facilitate access to a given target scenario. However, active scenario-control algorithms have not been designed so far to fully exploit this capability in real time. In this work, a model predictive controller that can handle actuation locations as control inputs is developed. In particular, the controller is designed to regulate both the auxiliary powers and the EC H&CD deposition locations in a pre-defined optimal sense to achieve the control objective of attaining and sustaining a target current profile. Further, the proposed controller is tested for a DIII-D tokamak scenario in nonlinear simulations using the Control Oriented Transport SIMulator (COTSIM).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2012

Investigation of nanocrystalline CdS/Si diode using complex impedance spectroscopy

Highlights: ► CdS/n-Si device was fabricated as a heterostructure. ► AFM was used to examine the structure of CdS/n-Si. ► Complex impedance Z′and Z″were calculated. ► AC conductivity was explained by the power law relation. ► CBH model was used to describe the AC conduction mechanism. -- Abstract: CdS/n-Si device was fabricated via depositing CdS thin film onto pre-cleaned n-silicon substrates. The atomic force microscope was used to examine the crystal size of the deposited films and its roughness. The AC conductivity and the real part of complex impedance Z′as a function of frequency at different temperatures were studied. The AC conductivity dependence of the applied frequency was explained on the basis of the power law relation. The bulk resistance has been calculated at different temperatures from the complex impedance Z″. The temperature dependence of capacitance for CdS/n-Si device at different frequencies was also investigated.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Microwave-assisted synthesis and photovoltaic measurements of CuInS{sub 2} nanoparticles prepared by using metal–organic precursors

Highlights: ► CuInS{sub 2} nanoparticles were prepared using complexes via a microwave-assisted method. ► The effect of preparation parameters on the morphology of CuInS{sub 2} was investigated. ► The as-deposited CdS/CuInS{sub 2} films were used for the photovoltaic measurements. -- Abstract: In this work, CuInS{sub 2} (CIS) nanoparticles have been synthesized with the aid of (1,8-diamino-3,6-dioxaoctan)copper(II) sulfate ([Cu(DADO)]SO{sub 4}) and bis(propylenediamine)copper(II) sulfate ([Cu(pn){sub 2}]SO{sub 4}) complexes as copper precursor in the presence of microwave irradiation. Besides, L-cystine, InCl{sub 3}, and sodium dodecyl sulfate (SDS) were applied as sulfur source, indium precursor, and capping agent, respectively. To investigate the effect of preparation parameters like microwave power and irradiation time on the morphology and particle size of CuInS{sub 2}, the experiment was carried out at different conditions. The as-synthesized CuInS{sub 2} nanoparticles were characterized by XRD, FT-IR, PL, SEM, TEM, and EDS. The XRD results showed that pure tetragonal CuInS{sub 2} could be only obtained after annealing at 400 °C for 2 h. The SEM images indicated that with decreasing the microwave power and irradiation time, particle size of CuInS{sub 2} nanoparticles decreased. To fabricate a solar cell, CdS film was directly deposited on top of the CIS film prepared by Doctor's blade method through chemical bath deposition. The as-deposited CdS/CuInS{sub 2} films were used for the photovoltaic measurements.

36 MATERIALS SCIENCE↗
DOE OSTI2013

AgSb(S{sub x}Se{sub 1−x}){sub 2} thin films for solar cell applications

Highlights: ► AgSb(S{sub x}Se{sub 1−x}){sub 2} thin films were formed by heating Na{sub 2}SeSO{sub 3} dipped Sb{sub 2}S{sub 3}/Ag layers. ► S/Se ratio was varied by changing the dipping time in Na{sub 2}SeSO{sub 3} solution. ► Characterized the films using XRD, XPS, SEM, Optical and electrical measurements. ► Band gap engineering of 1−1.1 eV for x = 0.51 and 0.52 respectively. ► PV Glass/FTO/CdS/AgSb(S{sub x}Se{sub 1−x}){sub 2}/C were prepared showing V{sub oc} = 410 mV, J{sub sc} = 5.7 mA/cm{sup 2}. - Abstract: Silver antimony sulfoselenide (AgSb(S{sub x}Se{sub 1−x}){sub 2}) thin films were prepared by heating glass/Sb{sub 2}S{sub 3}/Ag layers after selenization using sodium selenosulphate solution. First, Sb{sub 2}S{sub 3} thin films were deposited on glass substrates from a chemical bath containing SbCl{sub 3} and Na{sub 2}S{sub 2}O{sub 3}. Then Ag thin films were thermally evaporated onto glass/Sb{sub 2}S{sub 3}, followed by selenization by dipping in an acidic solution of Na{sub 2}SeSO{sub 3}. The duration of selenium dipping was varied as 30 min and 2 h. The heating condition was at 350 °C for 1 h in vacuum. Analysis of X-ray diffraction pattern of the thin films formed after heating showed the formation of AgSb(S{sub x}Se{sub 1−x}){sub 2}. Morphology and elemental analysis were done by scanning electron microscopy and energy dispersive X-ray detection. Depth profile of composition of the thin films was performed by X-ray Photoelectron Spectroscopy. The spectral study showed the presence of Ag, Sb, S, and Se, and the corresponding binding energy analysis confirmed the formation of AgSb(S{sub x}Se{sub 1−x}){sub 2}. Photovoltaic structures (PV) were prepared using AgSb(S{sub x}Se{sub 1−x}){sub 2} thin films as absorber and CdS thin films as window layers on FTO coated glass substrates. The PV structures were heated at 60–80 °C in air for 1 h to improve ohmic contact. Analysis of J–V characteristics of the PV structures showed V{sub oc} from 230 to 490 mV and J{sub sc} 0.28 to 5.70 mA/cm{sup 2}, under illumination of AM1.5 radiation using a solar simulator.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Enhanced photosensitized degradation of rhodamine B on CdS/TiO{sub 2} nanocomposites under visible light irradiation

Graphical abstract: The photosensitized degradation of RhB was largely enhanced by the synergistic effect of the RhB and CdS/TiO{sub 2} nanocomposite. The composite of the two inorganic semiconductors with appropriate oxidation reduction energy levels enhanced the charge separation and extended the absorption response to visible region. - Highlights: • CdS/TiO{sub 2} nanocomposites were synthesized by a simple hydrothermal method. • Samples prepared at 200 °C, 12 h, CdS/TiO{sub 2} = 12% possessed the best activity. • The photosensitized degradation of RhB was largely enhanced by the composite. • The better activity was due to the synergistic effect of the RhB and CdS/TiO{sub 2}. - Abstract: Visible-light-driven photocatalysts, CdS/TiO{sub 2} nanocomposites were synthesized by a simple hydrothermal method. Their formation and structures were characterized by X-ray diffractometer, transmission electron microscopy, diffuse reflectance spectroscopy, and X-ray photoelectron spectroscopy. Taking rhodamine B (RhB) as a model, their photocatalytic activities in aqueous phase under visible light irradiation (420 < λ < 800 nm) were tested. The results showed that the composite of CdS and TiO{sub 2} with appropriate oxidation reduction energy levels enhanced the charge separation and extended the absorption response into visible light region. Thus, the photosensitized degradation of RhB was largely enhanced. The degradation mechanism was explored concretely.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Combustion synthesis of CdS/reduced graphene oxide composites and their photocatalytic properties

Highlights: • CdS/reduced graphene oxide composites were prepared by a combustion method. • The phase changed from hexagonal to cubic phase by increasing the added amount of GO. • The composites showed excellent visible-light photocatalytic properties. • The plausible mechanism of photodegradation was discussed. - Abstract: CdS/reduced graphene oxide composites were synthesized by a simple one-pot combustion method using cadmium nitrate, thiourea and graphite as raw materials. The structure, morphologies, and photocatalytic properties of the as-prepared samples were studied by means of X-ray diffraction, scanning electron microscopy, transmission electron microscopy, Raman spectroscopy, Fourier transform infrared spectroscopy, photoluminescence and ultraviolet–visible spectrophotometry. The results show that the structure of CdS in as-prepared samples changes from hexagonal to cubic phase by increasing the added amount of graphene oxide. During combustion reaction, graphene oxide was reduced to reduced graphene oxide. As-obtained CdS/reduced graphene oxide composites show high visible-light photoactivities, attributed to the minimized recombination of photoinduced electrons and holes and the high surface area of reduced graphene oxide sheets.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Thin films of copper antimony sulfide: A photovoltaic absorber material

Highlights: • CuSbS{sub 2} thin films were prepared by heating Sb{sub 2}S{sub 3}/Cu layers. • Analyzed the structure, composition, optical, and electrical properties. • PV structures: glass/SnO{sub 2}:F/n-CdS/p-CuSbS{sub 2}/C/Ag were formed at different conditions. • The PV parameters (J{sub sc}, V{sub oc}, and FF) were evaluated from the J–V characteristics. • J{sub sc}: 0.52–3.20 mA/cm{sup 2}, V{sub oc}:187–323 mV, FF: 0.27–0.48 were obtained. - Abstract: In this work, we report preparation and characterization of CuSbS{sub 2} thin films by heating glass/Sb{sub 2}S{sub 3}/Cu layers and their use as absorber material in photovoltaic structures: glass/SnO{sub 2}:F/n-CdS/p-CuSbS{sub 2}/C/Ag. The Sb{sub 2}S{sub 3} thin films of 600 nm were prepared by chemical bath deposition on which copper thin films of 50 nm were thermally evaporated, and the glass/Sb{sub 2}S{sub 3}/Cu multilayers were heated in vacuum at different temperatures. X-ray diffraction analysis showed the formation of orthorhombic CuSbS{sub 2} after heating the precursor layers. Studies on identification and chemical state of the elements were done using X-ray photoelectron spectroscopy. The optical band gap of the CuSbS{sub 2} thin films was 1.55 eV and the thin films were photoconductive. The photovoltaic parameters of the devices using CuSbS{sub 2} as absorber and CdS as window layer were evaluated from the J–V curves, yielding J{sub sc}, V{sub oc}, and FF values in the range of 0.52–3.20 mA/cm{sup 2}, 187–323 mV, and 0.27–0.48, respectively, under illumination of AM1.5 radiation.

36 MATERIALS SCIENCE↗
DOE OSTI2020

A Revisited Mechanism of the Graphite-to-Diamond Transition at High Temperature

The graphite-diamond transition, under high-pressure and high-temperature conditions, has been a central subject in physical science. However, its atomistic mechanism remains under debate. Employing large-scale molecular dynamics (MD) simulations, we report a mechanism whereby the diamond nuclei in the graphite matrix propagate in two preferred directions, among which the graphite [120] is about 2.5 times faster than [001]. Consequently, cubic diamond (CD) is the kinetically favorable product, while only a few hexagonal diamonds (HDs) can exist as the twins of CDs. The coherent interface of t-(100)gr//(11-1)cd + [010]gr//[1-10]cd observed in MD simulation was confirmed by our high-resolution transmission electron microscopy experiment. This proposed mechanism not only clarifies the role of HD in graphite-diamond transition but also yields atomistic insight into strengthening synthetic diamond via microstructure engineering.

36 MATERIALS SCIENCE↗
DOE OSTI2021

The nanoscale distribution of copper and its influence on charge collection in CdTe solar cells

For decades, Cu has been the primary dopant in CdTe photovoltaic absorbers. Typically, Cu acceptor concentrations in these devices are on the order of 1 1014 cm-3, which has made it notoriously difficult to directly correlate nanoscale Cu distributions to the local charge transport properties of these devices. To measure and correlate these properties, measurement techniques require high sensitivity to elemental concentration, large penetration depth, and operando compatibility. Techniques such as secondary-ion mass spectroscopy and X-ray energy dispersive spectroscopy are widely adopted to measure Cu concentrations, but they are limited by penetration depth, sensitivity, or spatial resolution. Additionally, they lack the operando capabilities required to correlate one-to-one Cu concentrations to electrical performance. In this work, correlative X-ray microscopy is used to investigate the spatial distribution of Cu and its impact on charge collection through the depth and breadth of CdTe photovoltaic devices. Plan-view, nanoscale X-ray fluorescence maps clearly demonstrate the spatial segregation of copper around regions thought to be CdTe grain boundaries. Complementary cross-section imaging unveils the transition of the maximum charge-collection efficiency from the ZnTe-CdTe interface to the CdS-CdTe interface as a function of Cu incorporation. The copper concentration through the depth of the CdTe layer is characterized by slow and fast diffusion components, and cross-section charge-transport modeling shows that the experimentally obtained charge collection can be explained by the modeled acceptor distribution through the depth of the CdTe layer.

14 SOLAR ENERGY↗
DOE OSTI2018

Quantum-dot doped polymeric scintillation material for radiation detection

In this study, scintillation and luminescence enhancement were observed in a Quantum Dot-doped scintillating polymer, facilitating energy transfer with polymer medium and scintillating dye. 2,5-diphenyloxazole (PPO) and Cadmium Sulfide (CdS) Quantum Dots (QD) with 418 nm emission coated with oleic acid were dispersed in a polyvinyl toluene (PVT) matrix with transparency retained. Under UV excitation a sharp emission was detected at 426 nm from minimal QD loading with possible indication of QD energy transfer. Scintillation enhancement was observed with different radioactive sources in PVT-PPO/QD polymer with a photomultiplier detector setup. The response to gamma and beta radiation was investigated with differences in the energy spectrum and a count increase observed with increased QD loading.

36 MATERIALS SCIENCE↗
DOE OSTI2016

High Resolution Dopant Profiles Revealed by Atom Probe Tomography and STEM-EBIC for CdTe Based Solar Cells

Segregated elements and their diffusion profiles within grain boundaries and interfaces resulting from post deposition heat treatments are revealed using atom probe tomography (APT), scanning transmission electron microscopy (STEM), and electron beam induced current (EBIC) techniques. The results demonstrate how these techniques complement each other to provide conclusive evidence for locations of space charge regions and mechanisms that create them at the nanoscale. Most importantly, a Cl dopant profile that extends ~5 nm into CdTe grains interfacing the CdS is shown using APT and STEM synergy, which has been shown to push the pn-junction into the CdTe layer indicative of a homojunction (revealed by STEM EBIC). In addition, Cu and Cl concentrations within grain boundaries within several nms and µms from the CdS/CdTe interface are compared, Na segregation of <0.1% is detected, and S variations of ~1–3% are witnessed between CdTe grains close to the CdS/CdTe interface. The segregation and diffusion of these elements directly impacts on the material properties, such as band gap energy and n/p type properties. Optimization of the interfacial and grain boundary doping will lead to higher efficiency solar cells.

36 MATERIALS SCIENCE↗