Mesoscale Optoelectronic Design of Wire-Based Photovoltaic and Photoelectrochemical Devices

The overarching theme of this thesis is mesoscale optical and optoelectronic design of photovoltaic and photoelectrochemical devices. In a photovoltaic device, light absorption and charge carrier transport are coupled together on the mesoscale, and in a photoelectrochemical device, light absorption, charge carrier transport, catalysis, and solution species transport are all coupled together on the mesoscale. The work discussed herein demonstrates that simulation-based mesoscale optical and optoelectronic modeling can lead to detailed understanding of the operation and performance of these complex mesostructured devices, serve as a powerful tool for device optimization, and efficiently guide device design and experimental fabrication efforts. In-depth studies of two mesoscale wire-based device designs illustrate these principles—(i) an optoelectronic study of a tandem Si|WO3 microwire photoelectrochemical device, and (ii) an optical study of III-V nanowire arrays.

The study of the monolithic, tandem, Si|WO3 microwire photoelectrochemical device begins with development and validation of an optoelectronic model with experiment. This study capitalizes on synergy between experiment and simulation to demonstrate the model’s predictive power for extractable device voltage and light-limited current density. The developed model is then used to understand the limiting factors of the device and optimize its optoelectronic performance. The results of this work reveal that high fidelity modeling can facilitate unequivocal identification of limiting phenomena, such as parasitic absorption via excitation of a surface plasmon-polariton mode, and quick design optimization, achieving over a 300% enhancement in optoelectronic performance over a nominal design for this device architecture, which would be time-consuming and challenging to do via experiment.

The work on III-V nanowire arrays also starts as a collaboration of experiment and simulation aimed at gaining understanding of unprecedented, experimentally observed absorption enhancements in sparse arrays of vertically-oriented GaAs nanowires. To explain this resonant absorption in periodic arrays of high index semiconductor nanowires, a unified framework that combines a leaky waveguide theory perspective and that of photonic crystals supporting Bloch modes is developed in the context of silicon, using both analytic theory and electromagnetic simulations. This detailed theoretical understanding is then applied to a simulation-based optimization of light absorption in sparse arrays of GaAs nanowires. Near-unity absorption in sparse, 5% fill fraction arrays is demonstrated via tapering of nanowires and multiple wire radii in a single array. Finally, experimental efforts are presented towards fabrication of the optimized array geometries. A hybrid self-catalyzed and selective area MOCVD growth method is used to establish morphology control of GaP nanowire arrays. Similarly, morphology and pattern control of nanowires is demonstrated with ICP-RIE of InP. Optical characterization of the InP nanowire arrays gives proof of principle that tapering and multiple wire radii can lead to near-unity absorption in sparse arrays of InP nanowires.

Design of Mm-Wave RLSA with lossy waveguides by slot coupling control techniques

This paper discusses how to design a Radial Line Slot Antenna (RLSA) whose waveguide is filled with high loss dielectric materials. We introduce a new design for the aperture slot coupling synthesis to restrain the dielectric losses and improve the antenna gain. Based on a newly defined slot coupling, a number of RLSAs with different sizes and loss factors are analyzed and their performances are predicted. Theoretical calculations suggest that the gain is sensitive to the material losses in the radial lines. The gain enhancement by using the new coupling formula is notable for larger antenna size and higher loss factor of the dielectric material. Three prototype RLSAs are designed and fabricated at 60GHz following different slot coupling syntheses, and their measured performances consolidate our theory.

Estructuras sub-longutud de onda para el diseño de dispositivos en guía dieléctrica

Sub-wavelength structures are enabling the design of devices based in dielectric waveguides with unprecedented performance in both the near-infrared and mid-infrared wavelength regions. These devices include fiber-to-chip grating couplers with sub-decibel efficiency, waveguide couplers with bandwidths of several hundred nanometers, and low loss suspended waveguides. Here we will report our progress in the electromagnetic modelling and simulation of sub-wavelength structures, providing at the same time an intuitive vision of their fundamental optical properties. Furthermore, we will address design strategies for several integrated optical devices based on these structures, and present the latest experimental results for structures operating both at near and mid-infrared wavelengths.

Optical Waveguides and Structures for Short Haul Optical Communication Channels within Printed Circuit Boards

Optical waveguides have shown promising results for use within printed circuit boards. These optical waveguides have higher bandwidth than traditional copper transmission systems and are immune to electromagnetic interference. Design parameters for these optical waveguides are needed to ensure an optimal link budget. Modeling and simulation methods are used to determine the optimal design parameters needed in designing the waveguides. As a result, optical structures necessary for incorporating optical waveguides into printed circuit boards are designed and optimized. Embedded siloxane polymer waveguides are investigated for their use in optical printed circuit boards. This material was chosen because it has low absorption, high temperature stability, and can be deposited using common processing techniques. Two sizes of waveguides are investigated, 50 $unit{mu m}$ multimode and 4 - 9 $unit{mu m}$ single mode waveguides. A beam propagation method is developed for simulating the multimode and single mode waveguide parameters. The attenuation of simulated multimode waveguides are able to match the attenuation of fabricated waveguides with a root mean square error of 0.192 dB. Using the same process as the multimode waveguides, parameters needed to ensure a low link loss are found for single mode waveguides including maximum size, minimum cladding thickness, minimum waveguide separation, and minimum bend radius. To couple light out-of-plane to a transmitter or receiver, a structure such as a vertical interconnect assembly (VIA) is required. For multimode waveguides the optimal placement of a total internal reflection mirror can be found without prior knowledge of the waveguide length. The optimal placement is found to be either 60 µm or 150 µm away from the end of the waveguide depending on which metric a designer wants to optimize the average output power, the output power variance, or the maximum possible power loss. For single mode waveguides a volume grating coupler is designed to couple light from a silicon waveguide to a polymer single mode waveguide. A focusing grating coupler is compared to a perpendicular grating coupler that is focused by a micro-molded lens. The focusing grating coupler had an optical loss of over -14 dB, while the grating coupler with a lens had an optical loss of -6.26 dB.

Direct Write Fabrication of Waveguides and Interconnects for Optical Printed Wiring Boards

Current copper based circuit technology is becoming a limiting factor in high speed data transfer applications as processors are improving at a faster rate than are developments to increase on board data transfer. One solution is to utilize optical waveguide technology to overcome these bandwidth and loss restrictions. The use of this technology virtually eliminates the heat and cross-talk loss seen in copper circuitry, while also operating at a higher bandwidth. Transitioning current fabrication techniques from small scale laboratory environments to large scale manufacturing presents significant challenges. Optical-to-electrical connections and out-of-plane coupling are significant hurdles in the advancement of optical interconnects. The main goals of this research are the development of direct write material deposition and patterning tools for the fabrication of waveguide systems on large substrates, and the development of out-of-plane coupler components compatible with standard fiber optic cabling. Combining these elements with standard printed circuit boards allows for the fabrication of fully functional optical-electrical-printed-wiring-boards (OEPWBs). A direct dispense tool was designed, assembled, and characterized for the repeatable dispensing of blanket waveguide layers over a range of thicknesses (25-225 µm), eliminating waste material and affording the ability to utilize large substrates. This tool was used to directly dispense multimode waveguide cores which required no UV definition or development. These cores had circular cross sections and were comparable in optical performance to lithographically fabricated square waveguides. Laser direct writing is a non-contact process that allows for the dynamic UV patterning of waveguide material on large substrates, eliminating the need for high resolution masks. A laser direct write tool was designed, assembled, and characterized for direct write patterning waveguides that were comparable in quality to those produced using standard lithographic practices (0.047 dB/cm loss for laser written waveguides compared to 0.043 dB/cm for lithographic waveguides). Straight waveguides, and waveguide turns were patterned at multimode and single mode sizes, and the process was characterized and documented. Support structures such as angled reflectors and vertical posts were produced, showing the versatility of the laser direct write tool. Commercially available components were implanted into the optical layer for out-of-plane routing of the optical signals. These devices featured spherical lenses on the input and output sides of a total internal reflection (TIR) mirror, as well as alignment pins compatible with standard MT design. Fully functional OEPWBs were fabricated featuring input and output out-of-plane optical signal routing with total optical losses not exceeding 10 dB. These prototypes survived thermal cycling (-40°C to 85°C) and humidity exposure (95±4% humidity), showing minimal degradation in optical performance. Operational failure occurred after environmental aging life testing at 110°C for 216 hours.

Tunable single- and dual-wavelength SHG from diode-pumped PPKTP waveguides

A compact, all-room-temperature, widely tunable, continuous wave laser source in the green spectral region (502.1–544.2 nm) with a maximum output power of 14.7 mW is demonstrated. This was made possible by utilizing second-harmonic generation (SHG) in a periodically poled potassium titanyl phosphate (PPKTP) crystal waveguide pumped by a quantum-well external-cavity fiber-coupled diode laser and exploiting the multimode-matching approach in nonlinear crystal waveguides. The dual-wavelength SHG in the wavelength region between 505.4 and 537.7 nm (with a wavelength difference ranging from 1.8 to 32.3 nm) and sum-frequency generation in a PPKTP waveguide is also demonstrated.

Patterning optically clear films: co-planar transparent and color-contrasted thin films from interdiffused electrodeposited and solution-processed metal oxides

Transparent thin films can now be site-selectively patterned and positioned on surface using mask-defined electrodeposition of one oxide and overcoating with a different solution-processed oxide, followed by thermal annealing. Annealing allows an interdiffusion process to create a new oxide that is entirely transparent. A primary electrodeposited oxide can be patterned and the secondary oxide coated over the entire substrate to form high color contrast coplanar thin film tertiary oxide. The authors also detail the phase formation and chemical state of the oxide and how the nature of the electrodeposited layer and the overlayer influence the optical clearing of the patterned oxide film.

Cavity ring‑up spectroscopy for dissipative and dispersive sensing in a whispering gallery mode resonator

In whispering gallery mode resonator sensing applications, the conventional way to detect a change in the parameter to be measured is by observing the steady-state transmission spectrum through the coupling waveguide. Alternatively, sensing based on cavity ring-up spectroscopy, i.e. CRUS, can be achieved transiently. In this work, we investigate CRUS using coupled mode equations and find analytical solutions with a large spectral broadening approximation of the input pulse. The relationships between the frequency detuning, coupling gap and ring-up peak height are determined and experimentally verified using an ultrahigh Q-factor silica microsphere. This work shows that distinctive dispersive and dissipative transient sensing can be realised by simply measuring the peak height of the CRUS signal, which may improve the data collection rate.

Resonant metamaterials for the control of Rayleigh waves

Since their emergence, locally resonant metamaterials have found several applications for the control of surface waves, from micrometer-sized electronic devices to meter-sized seismic barriers. The interaction between Rayleigh-type surface waves and resonant metamaterials has been investigated through the realization of locally resonant metasurfaces, thin elastic interfaces constituted by a cluster of resonant inclusions or oscillators embedded near the surface of an elastic waveguide. When such resonant metasurfaces are embedded in an elastic homogeneous half-space, they can filter out the propagation of Rayleigh waves, creating low-frequency bandgaps at selected frequencies. In the civil engineering context, heavy resonating masses are needed to extend the bandgap frequency width of locally resonant devices, a requirement that limits their practical implementations. In this dissertation, the wave attenuation capabilities of locally resonant metasurfaces have been enriched by proposing (i) tunable metasurfaces to open large frequency bandgaps with small effective inertia, and by developing (ii) an analytical framework aimed at studying the propagation of Rayleigh waves propagation in deep resonant waveguides. In more detail, inertial amplified resonators are exploited to design advanced metasurfaces with a prescribed static and a tunable dynamic response. The modular design of the tunable metasurfaces allows to shift and enlarge low-frequency spectral bandgaps without modifying the total inertia of the metasurface. Besides, an original dispersion law is derived to study the dispersive properties of Rayleigh waves propagating in thick resonant layers made of sub-wavelength resonators. Accordingly, a deep resonant wave barrier of mechanical resonators embedded inside the soil is designed to impede the propagation of seismic surface waves. Numerical models are developed to confirm the analytical dispersion predictions of the tunable metasurface and resonant layer. Finally, a medium-size scale resonant wave barrier is designed according to the soil stratigraphy of a real geophysical scenario to attenuate ground-borne vibration.

Synthesis of new non-fullerene acceptors based on indacenodithiophene core for organic solar cells

Due to the low cost, lightness and flexibility, Polymer Solar Cell (PSC) technology is considered one of the most promising energy technologies. In the past decades, PSCs using fullerenes or fullerene derivatives as the electron acceptors have made great progress with best power conversion efficiency (PCE) reaching 11%. However, fullerene type electron acceptors have several drawbacks such as complicated synthesis, a low light absorption coefficient and poor tuning in energy levels, which prevent the further development of fullerene-based PSCs. Hence the need to have a new class of electron acceptors as an alternative to conventional fullerene compounds. Non-fullerene acceptors (NFAs) have developed rapidly in the last years and the maximum PCEs have exceeded 14% for single-junction cells and 17% for double-junction tandem cells. By combining an electron-donating backbone, generally with several fused rings with electron-withdrawing units, we can simply construct NFA of the acceptor–donor–acceptor type (A–D–A). Versatile molecular structures have been developed using methods such as acceptor motif engineering and donor motif engineering. However, there are only a few electron-donating backbones that have been proved to be successful. Therefore, it is still necessary to develop promising building blocks to further enrich the structural diversity. An indacenodithiophene (IDT) unit with just five fused rings has a sufficiently rigid coplanar structure, which has been regarded as one of the promising electron-rich units to design high-performance A–D–A NFAs. In this work, performed at the King Abdullah University of Science and Technology in Saudi Arabia, a new nine-cyclic building block (TBIDT) with a two benzothiophene unit was synthesized and used for designing new non-fullerene electron acceptors.

The role of the Rocky Mountains in shaping the atmospheric mean state and the response to tropical forcing in idealised simulations.

Understanding the natural and forced variability of the atmospheric general circulation and its drivers is one of the grand challenges in climate science. It is of paramount importance to understand to what extent the systematic error of climate models affects the processes driving such variability. This is done by performing a set of simulations (ROCK experiments) with an intermediate complexity atmospheric model (SPEEDY), in which the Rocky Mountains orography is increased or decreased to influence the structure of the North Pacific jet stream. For each of these modified-orography experiments, the climatic response to idealized sea surface temperature anomalies of varying intensity in the El Niño Southern Oscillation (ENSO) region is studied. ROCK experiments are characterized by variations in the Pacific jet stream intensity whose extension encompasses the spread of the systematic error found in Coupled Model Intercomparison Project (CMIP6) models. When forced with ENSO-like idealised anomalies, they exhibit a non-negligible sensitivity in the response pattern over the Pacific North American region, indicating that the model mean state can affect the model response to ENSO. It is found that the classical Rossby wave train response to ENSO is more meridionally oriented when the Pacific jet stream is weaker and more zonally oriented with a stronger jet. Rossby wave linear theory suggests that a stronger jet implies a stronger waveguide, which traps Rossby waves at a lower latitude, favouring a zonal propagation of Rossby waves. The shape of the dynamical response to ENSO affects the ENSO impacts on surface temperature and precipitation over Central and North America. A comparison of the SPEEDY results with CMIP6 models suggests a wider applicability of the results to more resources-demanding climate general circulation models (GCMs), opening up to future works focusing on the relationship between Pacific jet misrepresentation and response to external forcing in fully-fledged GCMs.