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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Design and simulation of n -type solar cells based on an iodine-doped CdTe absorber using SCAPS-1D

The performance of conventional p-type CdTe solar cells has plateaued in recent years, motivating exploration of n-type absorbers. Here, we evaluate a homojunction solar cell employing iodine-doped CdTe (CdTe:I) as the absorber in a Ti 3 C 2 T x MXene/p-CdTe:As/n-CdTe:I/indium structure through SCAPS-1D simulations and prototype devices. Optimized simulations predict efficiencies above 25% for thin CdTe:I absorbers (~0.7 μm). In contrast, the first prototype achieved only ~1.36% efficiency with V OC = 0.48 V, J SC = 6.45 mA/cm 2 and FF = 43.8%. When the simulation is adjusted to match the actual device structure, and the effective illumination is reduced to account for front-side light loss, the predicted V OC (0.48 V) and JSC (6.74 mA/cm 2 ) closely reproduce the experimental values. This suggests that the device performance is primarily limited by reduced front-side photon transmission and other material non-idealities. These results highlight the promise of iodine-doped n-type CdTe and identify clear pathways for further efficiency improvement.

14 SOLAR ENERGY↗
DOE OSTI2022

Optical Bound States in the Continuum Enabled by Magnetic Resonances Coupled to a Mirror

Dielectric metasurfaces made of high refractive index and low optical loss materials have emerged as promising platforms to achieve high-quality factor modes enabling strong light–matter interaction. Bound states in the continuum have shown potential to demonstrate narrow spectral resonances but often require asymmetric geometry and typically feature strong polarization dependence, complicating fabrication and limiting practical applications. Here, we introduce a novel approach for designing high-quality bound states in the continuum using magnetic dipole resonances coupled to a mirror. The resulting metasurface has simple geometric parameters requiring no broken symmetry. To demonstrate the unique features of our photonic platform we show a record-breaking third harmonic generation efficiency from the metasurface benefiting from the strongly enhanced electric field at high-quality resonances. Our approach mitigates the shortcomings of previous platforms with simple geometry enabling facile and large-area fabrication of metasurfaces paving the way for applications in optical sensing, detection, quantum photonics, and nonlinear devices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Holographic Nano‐Imaging of Terahertz Dirac Plasmon Polaritons in Topological Insulator Antenna Resonators

Abstract Excitation of Dirac plasmon polaritons (DPPs) in bi‐dimensional materials have attracted considerable interest in recent years, both from perspectives of understanding their physics and exploring their transformative potential for nanophotonic devices, including ultra‐sensitive plasmonic sensors, ultrafast saturable absorbers, modulators, and switches. Topological insulators (TIs) represent an ideal technological platform in this respect because they can support plasmon polaritons formed by Dirac carriers in the topological surface states. Tracing propagation of DPPs is a very challenging task, particularly at terahertz (THz) frequencies, where the DPP wavelength becomes over one order of magnitude shorter than the free space photon wavelength. Furthermore, severe attenuation hinders the comprehensive analysis of their characteristics. Here, the properties of DPPs in real TI‐based devices are revealed. Bi 2 Se 3 rectangular antennas can efficiently confine the propagation of DPPs to a single dimension and, as a result, enhance the DPPs visibility despite the strong intrinsic attenuation. The plasmon dispersion and loss properties from plasmon profiles are experimentally determined, along the antennas, obtained using holographic near‐field nano‐imaging in a wide range of THz frequencies, from 2.05 to 4.3 THz. The detailed investigation of the unveiled DPP properties can guide the design of novel topological quantum devices exploiting their directional propagation.

Chemistry↗
DOE OSTI2024

Ultraviolet H 2 luminescence in molecular clouds induced by cosmic rays

Context. Galactic cosmic rays (CRs) play a crucial role in ionisation, dissociation, and excitation processes within dense cloud regions where UV radiation is absorbed by dust grains and gas species. CRs regulate the abundance of ions and radicals, leading to the formation of more and more complex molecular species, and determine the charge distribution on dust grains. A quantitative analysis of these effects is essential for understanding the dynamical and chemical evolution of star-forming regions. Aims. The CR-induced photon flux has a significant impact on the evolution of the dense molecular medium in its gas and dust components. This study evaluates the flux of UV photons generated by CRs to calculate the photon-induced dissociation and ionisation rates of a vast number of atomic and molecular species, as well as the integrated UV photon flux. Methods. To achieve these goals, we took advantage of recent developments in the determination of the spectra of secondary electrons, in the calculation of state-resolved excitation cross sections of H 2 by electron impact, and of photodissociation and photoionisation cross sections. Results. We calculated the H 2 level population of each rovibrational level of the X, B, C, B′, D, B″, D′, and a states. We then computed the UV photon spectrum of H 2 in its line and continuum components between 72 and 700 nm, with unprecedented accuracy, as a function of the CR spectrum incident on a molecular cloud, the H 2 column density, the isomeric H 2 composition, and the dust properties. The resulting photodissociation and photoionisation rates are, on average, lower than previous determinations by a factor of about 2, with deviations of up to a factor of 5 for the photodissociation of species such as AlH, C 2 H 2 , C 2 H 3 , C 3 H 3 , LiH, N 2 , NaCl, NaH, O 2 + , S2, SiH, l-C 4 , and l-C 5 H. A special focus is given to the photoionisation rates of H 2 , HF, and N 2 , as well as to the photodissociation of H 2 , which we find to be orders of magnitude higher than previous estimates. We give parameterisations for both the photorates and the integrated UV photon flux as a function of the CR ionisation rate, which implicitly depends on the H 2 column density, as well as the dust properties.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Ultraviolet H 2 luminescence in molecular clouds induced by cosmic rays

Context. Galactic cosmic rays (CRs) play a crucial role in ionisation, dissociation, and excitation processes within dense cloud regions where UV radiation is absorbed by dust grains and gas species. CRs regulate the abundance of ions and radicals, leading to the formation of more and more complex molecular species, and determine the charge distribution on dust grains. A quantitative analysis of these effects is essential for understanding the dynamical and chemical evolution of star-forming regions. Aims. The CR-induced photon flux has a significant impact on the evolution of the dense molecular medium in its gas and dust components. This study evaluates the flux of UV photons generated by CRs to calculate the photon-induced dissociation and ionisation rates of a vast number of atomic and molecular species, as well as the integrated UV photon flux. Methods. To achieve these goals, we took advantage of recent developments in the determination of the spectra of secondary electrons, in the calculation of state-resolved excitation cross sections of H 2 by electron impact, and of photodissociation and photoionisation cross sections. Results. We calculated the H 2 level population of each rovibrational level of the X, B, C, B', D, B", D', and a states. We then computed the UV photon spectrum of H 2 in its line and continuum components between 72 and 700 nm, with unprecedented accuracy, as a function of the CR spectrum incident on a molecular cloud, the H 2 column density, the isomeric H 2 composition, and the dust properties. The resulting photodissociation and photoionisation rates are, on average, lower than previous determinations by a factor of about 2, with deviations of up to a factor of 5 for the photodissociation of species such as AlH, C 2 H 2 , C 2 H 3 , C 3 H 3 , LiH, N 2 , NaCl, NaH, O$^+_2$, S 2 , SiH, l-C 4 , and l-C 5 H. A special focus is given to the photoionisation rates of H 2 , HF, and N 2 , as well as to the photodissociation of H 2 , which we find to be orders of magnitude higher than previous estimates. We give parameterisations for both the photorates and the integrated UV photon flux as a function of the CR ionisation rate, which implicitly depends on the H 2 column density, as well as the dust properties.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Metasurface-enhanced photochemical activity in visible light absorbing semiconductors

Heterogeneous photocatalysis is an important research problem relevant to a variety of sustainable energy technologies. However, obtaining high photocatalytic efficiency from visible light absorbing semiconductors is challenging due to a combination of weak absorption, transport losses, and low activity. Aspects of this problem have been addressed by multilayer approaches, which provide a general scheme for engineering surface reactivity and stability independent of electronic considerations. However, an analogous broad framework for optimizing light–matter interactions has not yet been demonstrated. Here, we establish a photonic approach using semiconductor metasurfaces that is highly effective in enhancing the photocatalytic activity of GaAs, a high-performance semiconductor with a near-infrared bandgap. Our engineered pillar arrays with heights of ∼150 nm exhibit Mie resonances near 700 nm that result in near-unity absorption and exhibit a field profile that maximizes charge carrier generation near the solid–liquid interface, enabling short transport distances. Our hybrid metasurface photoanodes facilitate oxygen evolution and exhibit enhanced incident photon-to-current efficiencies that are ∼22× larger than a corresponding thin film for resonant excitation and 3× larger for white light illumination. Key to these improvements is the preferential generation of photogenerated carriers near the semiconductor interface that results from the field enhancement profile of magnetic dipolar-type modes.

Chemistry↗
DOE OSTI2023

Ultrathin electron and proton-conducting membranes for nanoscale integrated artificial photosystems

Reducing the thickness of separation membranes without compromising their selectivity and robustness is the most effective way of maximizing the areal conductivity. This is especially important for the integration of visible light-driven water oxidation and carbon dioxide (or proton) reduction into a complete artificial photosystem on the shortest possible length scale – the nanoscale – because of the efficiency advantages over macroscale photosystems. In addition to their excellent separation property, ultrathin membranes of 10 nm thickness or less need to exhibit sufficient electrical and proton conductivity in order for the photocatalytic rates to keep up with the photon flux at maximum solar intensity. Furher, two materials, graphene and amorphous silica with embedded molecular wires, have emerged as promising ultrathin membranes for the development of nanoscale integrated solar-fuel systems. Moreover, electrically conducting metal–organic or covalent–organic frameworks can be used to fabricate high surface area-supports that enable the use of molecular catalysts and/or light absorbers at an adequate areal density for nanoscale integration with graphene membranes. Following an overview of the electron and proton conductivity of these ultrathin materials and recent examples of photoelectrocatalytic applications that take advantage of some but not all the properties that constitute a complete functional membrane, the status and future opportunities for complete nanoscale integrated photosystems featuring an ultrathin membrane are discussed.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Machine learning enhanced characterization and optimization of photonic cured MAPbI 3 for efficient perovskite solar cells

Photonic curing (PC) can facilitate high-speed perovskite solar cell (PSC) manufacturing because it uses high-intensity light pulses to crystallize perovskite films in milliseconds. However, optimizing PC conditions is challenging due to its many variables, and using power conversion efficiency (PCE) as the optimization metric is both time-consuming and labor-intensive. This work presents a machine learning (ML) approach to optimize PC conditions for fabricating methylammonium lead iodide (MAPbI 3 ) films by quantitatively comparing their ultraviolet-visible (UV-vis) absorbance spectra to thermal annealed (TA) films using four similarity metrics. We perform Bayesian optimization coupled with Gaussian process regression (BO-GP) to minimize the similarity metrics. Refining PC conditions using active learning based on BO-GP models, we achieve a PC MAPbI3 film with an absorbance spectrum closely matching a TA reference film, which is further verified by its crystalline and morphological properties. Thus, we demonstrate that the UV-vis absorption spectrum can accurately proxy film quality. Additionally, we use an AI-based segmentation model for a more efficient grain size analysis. However, when we use the optimized PC condition to fabricate PSCs, we find that interaction between MAPbI 3 and the hole transport layer (HTL) during PC critically degrades the PSC performance. By adding a buffer layer between the HTL and MAPbI 3 , the optimized PC PSCs produce a champion PCE of 11.8%, comparable to the TA reference of 11.7%. Using UV-vis similarity metrics instead of device PCE as the objective in our BO-GP method accelerates the optimization of PC processing conditions for MAPbI 3 films.

14 SOLAR ENERGY↗
DOE OSTI2022

Integration of physiologically relevant photosynthetic energy flows into whole genome models of light‐driven metabolism

SUMMARY Characterizing photosynthetic productivity is necessary to understand the ecological contributions and biotechnology potential of plants, algae, and cyanobacteria. Light capture efficiency and photophysiology have long been characterized by measurements of chlorophyll fluorescence dynamics. However, these investigations typically do not consider the metabolic network downstream of light harvesting. By contrast, genome‐scale metabolic models capture species‐specific metabolic capabilities but have yet to incorporate the rapid regulation of the light harvesting apparatus. Here, we combine chlorophyll fluorescence parameters defining photosynthetic and non‐photosynthetic yield of absorbed light energy with a metabolic model of the pennate diatom Phaeodactylum tricornutum. This integration increases the model predictive accuracy regarding growth rate, intracellular oxygen production and consumption, and metabolic pathway usage. Through the quantification of excess electron transport, we uncover the sequential activation of non‐radiative energy dissipation processes, cross‐compartment electron shuttling, and non‐photochemical quenching as the rapid photoacclimation strategy in P. tricornutum. Interestingly, the photon absorption thresholds that trigger the transition between these mechanisms were consistent at low and high incident photon fluxes. We use this understanding to explore engineering strategies for rerouting cellular resources and excess light energy towards bioproducts in silico . Overall, we present a methodology for incorporating a common, informative data type into computational models of light‐driven metabolism and show its utilization within the design–build–test–learn cycle for engineering of photosynthetic organisms.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Theory of molecular emission power spectra. I. Macroscopic quantum electrodynamics formalism

In this work, we study the emission power spectrum of a molecular emitter with multiple vibrational modes in the framework of macroscopic quantum electrodynamics. The theory we present is general for a molecular spontaneous emission spectrum in the presence of arbitrary inhomogeneous, dispersive, and absorbing media. Moreover, the theory shows that the molecular emission power spectra can be decomposed into the electromagnetic environment factor and lineshape function. In order to demonstrate the validity of the theory, we investigate the lineshape function in two limits. In the incoherent limit (single molecules in a vacuum), the lineshape function exactly corresponds to the Franck–Condon principle. In the coherent limit (single molecules strongly coupled with single polaritons or photons) together with the condition of high vibrational frequency, the lineshape function exhibits a Rabi splitting, the spacing of which is exactly the same as the magnitude of exciton–photon coupling estimated by our previous theory [S. Wang et al., J. Chem. Phys. 151, 014105 (2019)]. Finally, we explore the influence of exciton–photon and electron–phonon interactions on the lineshape function of a single molecule in a cavity. The theory shows that the vibronic structure of the lineshape function does not always disappear as the exciton–photon coupling increases, and it is related to the loss of a dielectric environment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

1.3-µm passively mode-locked quantum dot lasers epitaxially grown on silicon: gain properties and optical feedback stabilization

Abstract This work reports on an investigation of the optical feedback in an InAs/InGaAs passively mode-locked quantum dot (QD) laser epitaxially grown on silicon. Under the stably-resonant optical feedback condition, experiments demonstrate that the radio-frequency linewidth is narrowed whatever the bias voltage applied on the saturable absorber (SA) is; on the other hand, the effective linewidth enhancement factor of the device increases with the reverse bias voltage on the SA, hence it is observed that such an increase influences the mode-locking dynamic and the stability of device under optical feedback. This work gives insights for stabilizing epitaxial QD mode-locked lasers on silicon which is meaningful for their applications in future large-scale silicon electronic and photonic applications requiring low power consumption as well as for high-speed photonic analog-to-digital conversion, intrachip/interchip optical clock distribution and recovery.

Dong, Bozhang (ORCID:0000000158266723)↗
DOE OSTI2021

Compact spectroscopy of keV to MeV X-rays from a laser wakefield accelerator

We reconstruct spectra of secondary X-rays from a tunable 250–350 MeV laser wakefield electron accelerator from single-shot X-ray depth-energy measurements in a compact (7.5 × 7.5 × 15 cm), modular X-ray calorimeter made of alternating layers of absorbing materials and imaging plates. X-rays range from few-keV betatron to few-MeV inverse Compton to > 100 MeV bremsstrahlung emission, and are characterized both individually and in mixtures. Geant4 simulations of energy deposition of single-energy X-rays in the stack generate an energy-vs-depth response matrix for a given stack configuration. An iterative reconstruction algorithm based on analytic models of betatron, inverse Compton and bremsstrahlung photon energy distributions then unfolds X-ray spectra, typically within a minute. We discuss uncertainties, limitations and extensions of both measurement and reconstruction methods.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

A MEMS dynamic mechanical analyzer for in situ viscoelastic characterization of 3D printed nanostructures

Cellular metamaterial structures with sub-micron features have shown the ability to become excellent energy absorbing materials for impact mitigation due to the enhanced mechanical properties of materials at the nanoscale. However, in order to optimize the design of these energy absorbing metamaterial structures we need to be able to measure the dynamic properties of the sub-micron features such as storage and loss moduli and the loss factor. Therefore, at scale testing is required to capture the scale, temperature, and strain rate dependent material properties of these nanoscale materials. This study presents the design, fabrication, and calibration of a MEMS-based dynamic mechanical analyzer (DMA) that can be directly integrated with the two photon lithography (TPL) process commonly used to fabricate metamaterial structures with nanoscale features. The MEMS-based DMA consists of a chevron style thermal actuator used to generate a tensile load on the structure and two differential capacitive sensors on each side of the structure used to measure load and displacement. This design demonstrated 1.5 ± 0.75 nm displacement resolution and 104 ± 52 nN load resolution, respectively. Dynamic mechanical analysis was successfully conducted on a single nanowire feature printed between the load and displacement stages of the MEMS device with testing frequencies ranging between 0.01–10 Hz and testing temperatures ranging between 22 °C–47 °C. These initial tests on an exemplar TPL part demonstrate that the printed nanowire behaves as a viscoelastic material wherein the transition from glassy to viscous behavior has already set in at the room temperature.

42 ENGINEERING↗
DOE OSTI2024

Controlling the Manifold of Polariton States Through Molecular Disorder

Exciton polaritons, arising from the interaction of electronic transitions with confined electromagnetic fields, have emerged as a powerful tool to manipulate the properties of organic materials. However, standard experimental and theoretical approaches overlook the significant energetic disorder present in most materials now studied. Using the conjugated polymer P3HT as a model platform, the degree of energetic disorder is systematically tuned and a corresponding redistribution of photonic character within the polariton manifold is observed. Based on these subtle spectral features, a more generalized approach is developed to describe strong light–matter coupling in disordered systems that captures the key spectroscopic observables and provides a description of the rich manifold of states intermediate between bright and dark. Finally, applied to a wide range of organic systems, the method challenges prevailing notions about ultrastrong coupling and whether it can be achieved with broad, disordered absorbers.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Dopants, Isotope, Pressure and Lead Sequestration for Hybrid Perovskite Materials

Dopants, Isotope, Pressure and Lead Sequestration for Hybrid Perovskite Materials The soaring power conversion efficiency (PCE) of solution process-based organic-inorganic hybrid perovskites solar cells (PSCs) assures their membership in the competitive photovoltaic technologies. However, stability, toxicity and scalability are the three grand challenges that still impedes the market adoption of PSCs. Careful fundamental studies on how their fascinating optoelectronic properties is related to their structures may provide leads to these challenges and also spin off new applications. In this talk, I will present our recent study on the dopants, isotope and pressure effects on hybrid perovskite materials (HPMs). We discovered an interesting bipolar electron injection in LiCl-doped MAPbI 3 -based UV detectors that respond to the energy of UV photons in distinguished photocurrents polarity. We also investigated how the underline interaction between the mass of the cationic rotors and the inorganic lattice in HPMs by isotope effect. In-situ synchrotron X-ray and time-resolved photoluminescence revealed abnormal optoelectronic properties of HPMs by modulating their bond angles and bond lengths using high pressure techniques. Moreover, I will also discuss our new technology to sequestrate lead leakage on perovskite solar cells that can absorb >99% leaked Pb ions under severe device damge while without sacrificing the PCE under normal operational conditions.

Xu, Tao↗
DOE OSTI2020

Automated co-adding and energy calibration of large array microcalorimeter data with zero sample knowledge

State-of-the-art microcalorimeter spectrometers now contain large detector arrays with hundreds of individual pixels. Each individual pixel outputs a unique and non-linear response with respect to deposited energy. This work describes a pattern-recognition algorithm to combine these responses into a single energy-calibrated histogram, referred to as co-adding pixels. Photo-peaks from different pixels are matched together based upon how well the match aligns the centroids and heights of neighboring peaks. This usually results in around 100 co-adding calibration points from 30 to 300 keV for a several day acquisition of plutonium items with masses between 0.5 and 10 grams. An additional algorithm energy-calibrates this co-added spectrum using the fluoresced K x-ray emissions from a tantalum absorber and inherent x-ray escape peaks from the tin absorbers. Both algorithms operate without knowledge of the source and are fully automated. This work presents results from the acquisitions of high and low burnup plutonium, 10% enriched uranium, a 153 Gd calibration source, and a 57 Co+ 166m Ho calibration source. In all measurements, resolution defined as the full-width at half-maximum (FWHM) of photo-peaks is preserved between the individual pixel and co-added spectra at around 65 eV for incident photon energies between 60 and 208 keV. The energy calibration algorithm is approximate and yields a calibration curve off by an average of around 200 eV for incident photon energies between 60 and 208 keV.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

Mortality among workers at the Rocky Flats Plant, 1951–2017

The Rocky Flats (RFs) Plant operated from 1951–1989 as part of the U.S. Department of Energy (DOE) nuclear complex. Its primary mission was weapons component fabrication, whereby workers were potentially exposed to radioactive and non-radioactive hazards. RF worker mortality was compared to the general population, and dose-response relationships between mortality and radiation organ doses were examined. RF workers first employed between 1951 and 1979 for ⩾30 d were identified (n = 9397). Vital status was determined using national and state death records up to 2017. Organ doses from external photons and neutrons irritation and internalised plutonium (Pu), americium (Am), and uranium (U) were modelled as cumulative lagged total doses per year. Beryllium exposure was evaluated as an effect modifier using data from the DOE Nationwide Beryllium Medical Program. Statistical analyses included standardised mortality ratios (SMRs), Cox proportional hazard models, and excess relative risk (ERR) models. Approximately 53.2% of workers were deceased by the end of the study. Nearly 90% were monitored for radiation exposure, with a mean weighted absorbed dose of 59.0 mGy for the lungs. Nearly 45% of workers had intakes of alpha-particle emitting radionuclides, and 46.7% were monitored for neutrons. Leading causes of death included ischemic heart disease (n = 999) and lung cancer (n = 361). The highest SMRs were observed for berylliosis (SMR: 176.9; 95% CI: 76.2, 348.7; n < 10) and asbestosis (SMR: 4.65; 95% CI: 2.23, 8.55; n = 10). Dose-response analyses showed no statistical increase in risk from low-dose radiation including lung cancer (ERR per 100 mGy: −0.02; 95% CI: −0.11, 0.08; n = 361) and Parkinson’s disease (ERR per 100 mGy: 0.13; 95% CI: −0.26, 0.31; n = 57). Approximately 45% of workers were monitored for beryllium, with a weak non-significant indication of effect modification for lung cancer risk. The RF cohort showed no evidence of a statistically significant increase in mortality from occupational radiation exposure. However, this study was limited by low statistical power, which inhibits the ability to detect effects. Future pooling of Million Person Study (MPS) cohorts will provide further insights, particularly regarding Pu as a carcinogen.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2023

Persistent optical phenomena in oxide semiconductors

The interaction of transparent oxide semiconductors with light is critically important for a range of applications. Persistent effects could be exploited for holographic memory or optically defined circuits. Conversely, they may also be detrimental to device operation. Large, room-temperature persistent photoconductivity (PPC) was discovered in strontium titanate (SrTiO 3 , STO) after annealing in a hydrogen-containing atmosphere. Barium titanate (BaTiO 3 , BTO), a ferroelectric material, was recently found to also exhibit PPC. Room-temperature photodarkening was observed in Cu-doped gallium oxide (β-Ga 2 O 3 ) after exposure to sub-bandgap light. Hydrogen is believed to play a central role in these persistent phenomena. In the proposed model, a photon excites substitutional hydrogen (a proton inside an oxygen vacancy), making the defect unstable. The proton leaves and binds to a host oxygen atom, forming an O-H bond that is observed with infrared spectroscopy. Here, an oxygen vacancy is left behind. Because oxygen vacancies in STO and BTO are shallow donors, this process results in PPC. In β-Ga 2 O 3 :Cu, however, the oxygen vacancy neighbors a Cu acceptor. In that case, photoexcitation results in the rare Cu 3+ state, which absorbs visible light. The effect can be “erased” by annealing at 300-400°C.

Annealing↗