Mesoscale modeling of photoelectrochemical devices: light absorption and carrier collection in monolithic, tandem, Si|WO_3 microwires

We analyze mesoscale light absorption and carrier collection in a tandem junction photoelectrochemical device using electromagnetic simulations. The tandem device consists of silicon (E_(g,Si) = 1.1 eV) and tungsten oxide (E_(g,WO3) = 2.6 eV) as photocathode and photoanode materials, respectively. Specifically, we investigated Si microwires with lengths of 100 µm, and diameters of 2 µm, with a 7 µm pitch, covered vertically with 50 µm of WO_3 with a thickness of 1 µm. Many geometrical variants of this prototypical tandem device were explored. For conditions of illumination with the AM 1.5G spectra, the nominal design resulted in a short circuit current density, J_(SC), of 1 mA/cm^2, which is limited by the WO_3 absorption. Geometrical optimization of photoanode and photocathode shape and contact material selection, enabled a three-fold increase in short circuit current density relative to the initial design via enhanced WO_3 light absorption. These findings validate the usefulness of a mesoscale analysis for ascertaining optimum optoelectronic performance in photoelectrochemical devices

Optimizing Photonic Nanostructures via Multi-fidelity Gaussian Processes

We apply numerical methods in combination with finite-difference-time-domain (FDTD) simulations to optimize transmission properties of plasmonic mirror color filters using a multi-objective figure of merit over a five-dimensional parameter space by utilizing novel multi-fidelity Gaussian processes approach. We compare these results with conventional derivative-free global search algorithms, such as (single-fidelity) Gaussian Processes optimization scheme, and Particle Swarm Optimization---a commonly used method in nanophotonics community, which is implemented in Lumerical commercial photonics software. We demonstrate the performance of various numerical optimization approaches on several pre-collected real-world datasets and show that by properly trading off expensive information sources with cheap simulations, one can more effectively optimize the transmission properties with a fixed budget.Comment: NIPS 2018 Workshop on Machine Learning for Molecules and Materials. arXiv admin note: substantial text overlap with arXiv:1811.0075

Efficiency limits for photoelectrochemical water-splitting

Theoretical limiting efficiencies have a critical role in determining technological viability and expectations for device prototypes, as evidenced by the photovoltaics community’s focus on detailed balance. However, due to their multicomponent nature, photoelectrochemical devices do not have an equivalent analogue to detailed balance, and reported theoretical efficiency limits vary depending on the assumptions made. Here we introduce a unified framework for photoelectrochemical device performance through which all previous limiting efficiencies can be understood and contextualized. Ideal and experimentally realistic limiting efficiencies are presented, and then generalized using five representative parameters—semiconductor absorption fraction, external radiative efficiency, series resistance, shunt resistance and catalytic exchange current density—to account for imperfect light absorption, charge transport and catalysis. Finally, we discuss the origin of deviations between the limits discussed herein and reported water-splitting efficiencies. This analysis provides insight into the primary factors that determine device performance and a powerful handle to improve device efficiency

Fabrication of ultra-thin si nanopillar arrays for polarization-independent spectral filters in the near-IR

Sub-wavelength arrays have garnered significant interest for many potential optoelectronics applications. We fabricated sub-wavelength silicon nanopillar arrays with a ratio of radius, r and a center-to-center distance, a, of r/a ≈ 0.2 that were fully embedded in SiO_2 for narrow stopband filters that are compact and straightforward to fabricate compared to conventional Bragg stack reflectors. These arrays are well-suited for hyperspectral filtering applications in the infrared. They are ultra-thin (<0.1λ), polarization-independent, and attain greater efficiencies enabled by low loss compared to plasmonic-based designs. The choice of Si as the nanopillar material stems from its low cost, high index of refraction, and a band gap of 1.1 eV near the edge of the visible. These arrays exhibit narrow near-unity reflectivity resonances that arise from coupling of an incident wave into a leaky waveguide mode via a grating vector that is subsequently reradiated, also known as guided mode resonances (GMRs). Simulations reveal reflectivities of >99% with full width at half maxima (FWHM) of ≈0.01 μm. We demonstrate a fabrication route for obtaining nanopillar arrays that exhibit these GMRs. We experimentally observed a GMR with an amplitude of ~0.8 for filter arrays fabricated on silicon on insulator (SOI) substrates, combined with Fabry-Perot interference that stems from the underlying silicon layer

VAPB/ALS8 interacts with FFAT-like proteins including the p97 cofactor FAF1 and the ASNA1 ATPase

BACKGROUND: FAF1 is a ubiquitin-binding adaptor for the p97 ATPase and belongs to the UBA-UBX family of p97 cofactors. p97 converts the energy derived from ATP hydrolysis into conformational changes of the p97 hexamer, which allows the dissociation of its targets from cellular structures or from larger protein complexes to facilitate their ubiquitin-dependent degradation. VAPB and the related protein VAPA form homo- and heterodimers that are anchored in the endoplasmic reticulum membrane and can interact with protein partners carrying a FFAT motif. Mutations in either VAPB or p97 can cause amyotrophic lateral sclerosis, a neurodegenerative disorder that affects upper and lower motor neurons. RESULTS: We show that FAF1 contains a non-canonical FFAT motif that allows it to interact directly with the MSP domain of VAPB and, thereby, to mediate VAPB interaction with p97. This finding establishes a link between two proteins that can cause amyotrophic lateral sclerosis when mutated, VAPB/ALS8 and p97/ALS14. Subsequently, we identified a similar FFAT-like motif in the ASNA1 subunit of the transmembrane-domain recognition complex (TRC), which in turn mediates ASNA1 interaction with the MSP domain of VAPB. Proteasome inhibition leads to the accumulation of ubiquitinated species in VAPB immunoprecipitates and this correlates with an increase in FAF1 and p97 binding. We found that VAPB interaction with ubiquitinated proteins is strongly reduced in cells treated with FAF1 siRNA. Our efforts to determine the identity of the ubiquitinated targets common to VAPB and FAF1 led to the identification of RPN2, a subunit of an oligosaccharyl-transferase located at the endoplasmic reticulum, which may be regulated by ubiquitin-mediated degradation. CONCLUSIONS: The FFAT-like motifs we identified in FAF1 and ASNA1 demonstrate that sequences containing a single phenylalanine residue with the consensus (D/E)(D/E)FEDAx(D/E) are also proficient to mediate interaction with VAPB. Our findings indicate that the repertoire of VAPB interactors is more diverse than previously anticipated and link VAPB to the function of ATPase complexes such as p97/FAF1 and ASNA1/TRC

Resonant absorption in semiconductor nanowires and nanowire arrays: Relating leaky waveguide modes to Bloch photonic crystal modes

We present a unified framework for resonant absorption in periodic arrays of high index semiconductor nanowires that combines a leaky waveguide theory perspective and that of photonic crystals supporting Bloch modes, as array density transitions from sparse to dense. Full dispersion relations are calculated for each mode at varying illumination angles using the eigenvalue equation for leaky waveguide modes of an infinite dielectric cylinder. The dispersion relations along with symmetry arguments explain the selectivity of mode excitation and spectral red-shifting of absorption for illumination parallel to the nanowire axis in comparison to perpendicular illumination. Analysis of photonic crystal band dispersion for varying array density illustrates that the modes responsible for resonant nanowire absorption emerge from the leaky waveguide modes

Near-Unity Unselective Absorption in Sparse InP Nanowire Arrays

We experimentally demonstrate near-unity, unselective absorption, broadband, angle-insensitive, and polarization-independent absorption, in sparse InP nanowire arrays, embedded in flexible polymer sheets via geometric control of waveguide modes in two wire motifs: (i) arrays of tapered wires and (ii) arrays of nanowires with varying radii. Sparse arrays of these structures exhibit enhanced absorption due to strong coupling into the first order azimuthal waveguide modes of individual nanowires; wire radius thus controls the spectral region of the absorption enhancement. Whereas arrays of cylindrical wires with uniform radius exhibit narrowband absorption, arrays of tapered wires and arrays with multiple wire radii expand this spectral region and achieve broadband absorption enhancement. Herein, we present an economic, top-down lithographic/etch fabrication method that enables fabrication of multiple InP nanowire arrays from a single InP wafer with deliberate control of nanowire radius and taper. Using this method, we create sparse tapered and multiradii InP nanowire arrays and demonstrate optical absorption that is broadband (450–900 nm), angle-insensitive, and near-unity (>90%) in roughly 100 nm planar equivalence of InP. These highly absorbing sparse nanowire arrays represent a promising approach to flexible, high efficiency optoelectronic devices, such as photodetectors, solar cells, and photoelectrochemical devices