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Time horizons for nuclear materials development and qualification must be shortened to realize future nuclear energy concepts. Inspired by the Materials Genome Initiative, we present an integrated approach to materials discovery and qualification to insert new materials into service.

Recent advances in design and processing technology have made possible commercialization of polycrystalline (px)-CdTe as a photovoltaic absorber. Grain boundaries (GBs) are the most prominent struc...

We present progress to develop low-cost interdigitated back contact solar cells with pc-Si/SiO2/c-Si passivated contacts formed by plasma immersion ion implantation (PIII). PIII is a lower-cost implantation technique than traditional beam line implantation due to its simpler design, lower operating costs, and ability to run high doses (1E14–1E18 cm−2) at low ion energies (20 eV–10 keV). These benefits make PIII ideal for high throughput production of patterned passivated contacts, where high-dose, low-energy implantations are made into thin (20–200 nm) a-Si layers instead of into the wafer itself. For this work symmetric passivated contact test structures (~100 nm thick) grown on n-Cz wafers with pH3 PIII doping gave implied open circuit voltage (iVoc) values of 730 mV with Jo values of 2 fA/cm2. Samples doped with B2H6 gave iVoc values of 690 mV and Jo values of 24 fA/cm2, outperforming BF3 doping, which gave iVoc values in the 660–680 mV range. Samples were further characterized by SIMS, photoluminescence, TEM, EELS, and post-metallization TLM to reveal micro- and macro-scopic structural, chemical and electrical information.

We investigated potential-induced degradation (PID) in silicon mini-modules that were subjected to accelerated stressing to induce PID conditions. Shunted areas on the cells were identified with photoluminescence and dark lock-in thermography (DLIT) imaging. The identical shunted areas were then analyzed via time-of-flight secondary-ion mass spectrometry (TOF-SIMS) imaging, 3-D tomography, and high-resolution transmission electron microscopy. The TOF-SIMS imaging indicates a high concentration of sodium in the shunted areas, and 3-D tomography reveals that the sodium extends more than 2 μm from the surface below shunted regions. Transmission electron microscopy investigation reveals that a stacking fault is present at an area identified as shunted by DLIT imaging. After the removal of surface sodium, tomography reveals persistent sodium present around the junction depth of 300 nm and a drastic difference in sodium content at the junction when comparing shunted and nonshunted regions.

Deep learning provides an efficient cross-validation tool for crystallography with no preferred orientation or magnification., While machine learning has been making enormous strides in many technical areas, it is still massively underused in transmission electron microscopy. To address this, a convolutional neural network model was developed for reliable classification of crystal structures from small numbers of electron images and diffraction patterns with no preferred orientation. Diffraction data containing 571,340 individual crystals divided among seven families, 32 genera, and 230 space groups were used to train the network. Despite the highly imbalanced dataset, the network narrows down the space groups to the top two with over 70% confidence in the worst case and up to 95% in the common cases. As examples, we benchmarked against alloys to two-dimensional materials to cross-validate our deep-learning model against high-resolution transmission electron images and diffraction patterns. We present this result both as a research tool and deep-learning application for diffraction analysis.

We discuss the optoelectronic property variation between grains and grain boundaries of CdTe polycrystalline thin films using a confocal microscopy system. Single-photon photoluminescence (PL) and time-resolved photoluminescence spectroscopy (PL) is used to map $10 \times 10 \mu \mathrm {m}^{2}$ area at the back surface of CdTe with an optical resolution of 104 nm. TRPL maps show that different grain boundaries have different near-surface lifetimes. Surprisingly, grain-boundaries with high near-surface lifetime are associated with regions of the sample that have low PL yield. This study demonstrates the potential of confocal PL and TRPL mapping to understand carrier lifetime variations in thin films.

Nanoporous “black” silicon semiconductors interfaced with buried platinum nanoparticle catalysts have exhibited stable activity for photoelectrochemical hydrogen evolution even after months of exposure to ambient conditions. The mechanism behind this stability has not been explained in detail, but is thought to involve a Pt/Si interface free from SiOx layer that would adversely affect interfacial charge transfer kinetics. In this paper, we resolve the chemical composition and structure of buried Pt/Si interfaces in black silicon photocathodes from a micron to sub-nanometer level using aberration corrected analytical scanning transmission electron microscopy. Through a controlled electrodeposition of copper on samples aged for one month in ambient conditions, we demonstrate that the main active catalytic sites are the buried Pt nanoparticles located below the 400–800 nm thick nanoporous SiOx layer. Though hydrogen production performance degrades over 100 h under photoelectrochemical operating conditions, this burying strategy preserves an atomically clean catalyst/Si interface free of oxide or other phases under air exposure and provides an example of a potential method for stabilizing silicon photoelectrodes from oxidative degradation in photoelectrochemical applications.

Simultaneously capturing material structure and chemistry in the form of accessible data is often advantageous for drawing correlations and enhancing our understanding of measurable materials behavior and properties. Unfortunately, in many cases, accessing data at the scale required, is highly multidimensional and sparse by the historical and evolving nature of materials science. To mitigate difficulties, we develop and employ methods of data analytics in conjunction with open accessible chemistry and structure datasets, to classify and reduce the amount of data needed for extracting useful descriptors from multidimensional techniques. The construction and systematic ablation of our model highlights the potential for dimensional reduction in data sampling, improved classification, and identification of correlations among material crystallography and chemistry.

The present disclosure relates to a composition that includes, in order: a first layer that includes MAw; a second layer that includes MOyAz; and a third layer that includes MOx, where M includes a transition metal, A includes at least one of sulfur, selenium, and/or tellurium, w is between greater than zero and less than or equal to five, x is between greater than zero and less than or equal to five, y is between greater than zero and less than or equal to five, and z is between greater than zero and less than or equal to five. In some embodiments of the present disclosure, the transition metal may include at least one of molybdenum and/or tungsten. In some embodiments of the present disclosure, A may be sulfur.

While the development of monochromators for scanning transmission electron microscopes (STEM) has improved our ability to resolve spectral features in the 0–5 eV energy range of the electron energy loss spectrum, the overall benefits relative to unfiltered microscopes have been difficult to quantify. Simple curve fitting and reciprocal space models that extrapolate the expected behavior of the zero-loss peak are not enough to fully exploit the optimal spectral limit and can hinder the ease of interpreting the resulting spectra due to processing-induced artifacts. To address this issue, here we present a quantitative comparison of two processing methods for performing ZLP removal and for defining the low-energy spectral limit applied to three microscopes with different intrinsic emission and energy resolutions. Applying the processing techniques to spectroscopic data obtained from each instrument leads in each case to a marked improvement in the spectroscopic limit, regardless of the technique implemented or the microscope setup. The example application chosen to benchmark these processing techniques is the energy limit obtained from a silicon wedge sample as a function of thickness. Based on these results, we conclude on the possibility to resolve statistically significant spectral features to within a hundred meV of the native instrumental energy spread, opening up the future prospect of tracking phonon peaks as new and improved hardware becomes available.

A key pathway to meeting the Department of Energy SunShot 2020 goals is to reduce financing costs by improving investor confidence through improved photovoltaic (PV) module reliability. A comprehensive approach to further understand and improve PV reliability includes characterization techniques and modeling from module to atomic scale. Imaging techniques, which include photoluminescence, electroluminescence, and lock-in thermography, are used to locate localized defects responsible for module degradation. Small area samples containing such defects are prepared using coring techniques and are then suitable and available for microscopic study and specific defect modeling and analysis.

CdTe solar cells have the potential to undercut the costs of electricity generated by other technologies, if the open-circuit voltage can be increased beyond 1 V without significant decreases in current. However, in the past decades, the open-circuit voltage has stagnated at around 800–900 mV. This is lower than in GaAs solar cells, even though GaAs has a smaller bandgap; this is because it is more difficult to achieve simultaneously high hole density and lifetime in II–VI materials than in III–V materials. Here, by doping the CdTe with a Group V element, we report lifetimes in single-crystal CdTe that are nearly radiatively limited and comparable to those in GaAs over a hole density range relevant for solar applications. Furthermore, the deposition on CdTe of nanocrystalline CdS layers that form non-ideal heterointerfaces with 10% lattice mismatch impart no damage to the CdTe surface and show excellent junction transport properties. These results enable the fabrication of CdTe solar cells with open-circuit voltage greater than 1 V. Solar cells based on CdTe are a promising low-cost alternative to mainstream Si devices, but they usually produce voltages below 900 mV. Burst et al. now show that open-circuit voltages greater than 1 V can be achieved by doping the CdTe with a group V element.

We demonstrate the ability to apply electron energy loss spectroscopy (EELS) to follow the chemistry and oxidation states of LiMn2O4 and Li4Ti5O12 battery electrodes within a battery solvent. This is significant as the use and importance of in situ electrochemical cells coupled with a scanning/transmission electron microscope (S/TEM) has expanded and been applied to follow changes in battery chemistry during electrochemical cycling. We discuss experimental parameters that influence measurement sensitivity and provide a framework to apply this important analytical method to future in situ electrochemical studies.

Semiconducting CdZnTe or "CZT" crystals are very suitable for use as a room temperature-based gamma radiation spectrometer. During the last decade, modifications in growth methods for CZT have significantly improved the quality of the produced crystals however there are material features that can influence the performance of these materials as radiation detectors. For example, various structural heterogeneities within the CZT crystals, such as, pipes, voids, polycrystallinity, and secondary phases (SP) can have a negative impact on the detector performance. In this study, a CZT material was grown by the modified vertical Bridgman growth (MVB) method with zone leveled growth in the absence of excess Te in the melt. Numerous SP were imaged using transmission IR at a volume % of 0.002. Samples from this material were analyzed using various analytical techniques to evaluate its electrical properties, purity and detector performance as radiation spectrometers and to determine the morphology, dimension and elemental /structural composition of one of the SP in this material. This material was found to have a high resistivity and good radiation spectrometer performance. It had SPs that were rich in calcium (Ca), carbon (C) and oxygen (O) (possibly CaCO3) or only C and O that were 5 μm or less in diameter.

Earth‐abundant sustainable inorganic thin‐film solar cells, independent of precious elements, pivot on a marginal material phase space targeting specific compounds. Advanced materials characterization efforts are necessary to expose the roles of microstructure, chemistry, and interfaces. Herein, the earth‐abundant solar cell device, Cu2ZnSnS(4– x )Sex, is reported, which shows a high abundance of secondary phases compared to similarly grown Cu2ZnSnSe4.

Extended abstract of a paper presented at Microscopy and Microanalysis 2013 in Indianapolis, Indiana, USA, August 4 – August 8, 2013.