This dissertation explores the fundamental science of flexoelectricity and its implications using a combined experimental and theoretical approach. I begin by introducing the flexoelectric effect and formalizing the basics of strain gradients, polarization, and flexoelectric coefficients. Next, I describe the development of a flexoelectric characterization system based upon three-point bending...
Polymer and polymer/ceramic composites known as bone cements are commonly used in musculoskeletal reconstructive surgeries where bone tissue fixation, reinforcement, or void filling may be needed. Polymethylmethacrylate, PMMA, was the initial (and currently only) FDA-approved bone cement for bone-void filling applications yet faces many inherent material-based challenges that impacts its...
Discrete molecules, linear and branched polymers, and disordered cross-linked networks are well studied objects of chemical synthesis. However, two-dimensional polymers (2DPs) have been long missing from this continuum of molecular architectures, both in chemical synthesis and in Nature. Recently, new polymerization strategies and characterization methods have enabled the unambiguous realization...
Additive manufacturing is a promising process that has the capability to build components with complex geometries for structural and biomedical applications. Due to the rapid and localized directional solidification of molten metallic alloys, unique phase transformations occur at the melt pool that can provide for components with greater strength and...
This thesis describes a series of fundamental studies that address the role of electrostatic interactions in modulating i) the permeability of the ligand shell of a colloidal quantum dot (QD) to an anionic redox probe; ii) the resulting yield of photoinduced electron exchange within the QD ‒ redox probe complex;...
Single-use plastic waste pollution will cause significant harm to the environment if left unaddressed. One possible mitigation strategy is to develop processes, e.g. catalytic hydrogenolysis, that can convert (i.e. upcycle) waste plastics into value-added products capable of participating in a circular economy. Platinum (Pt) catalysts on strontium titanate nanocuboid supports...
Thermoelectric devices convert between temperature gradients and electricity, implying numerous applications, such as powering exploratory space vehicles, industrial waste-heat recovery, and solid- state refrigeration. Thermoelectric devices consist of doped p-type and n-type semiconductor legs, and the overall device efficiency depends on the transport properties of these semiconductor materials. High-performing thermoelectric...
Dilute Al-Sc-Zr-Si-based aluminum alloys retain their strength for long periods of time at elevated temperatures due to a dispersion of nanometric, coherent, and coarsening-resistant Al3(Sc,Zr) (L12 structure) nanoprecipitates that are formed upon aging. These alloys are attractive for replacement of dense steels and costly Ti alloys in the 250–400 °C...
Engineering heat transport in materials is essential for thermal management in a wide range of technologies, from batteries to thermoelectrics. Materials host a wide spectrum of heat-carrying phonons, which vary in their frequency, spatial extent, and degree of plane-wave character. This diversity in phonon properties leads to complex behavior, especially...
Organic solar cells (OSC) are a next generation solar energy technology that offers the advantages of scalable fabrication, light weight, flexibility, and earth-abundant starting materials. Despite tremendous advances in OSC power conversion efficiency (PCE) over the last decade, active layer material selection and optimization is still largely empirical. In order...
Self-assembly of colloidal particles at the nano- and microscale has been a powerful tool for producing structures with emergent properties in applications ranging from electro-mechanical systems to photonics and biomedical devices. Great success has been achieved in experiments, where a variety of exotic phases have been discovered and even reconfigurable...
The field of materials discovery is undergoing an unprecedented transition from laboratory tocomputer. Behind this transition is the new ability to accurately compute material properties, especially
energetic stability, from first principles with density functional theory (DFT). However,
DFT remains computationally expensive, and DFT-based materials discovery is intractable, especially
in high...
Rapid changes in global climate are pushing nations to reduce CO2 emissions and adopt clean energy technologies for renewable energy generation and storage. As wind and solar are implemented worldwide, a commensurate response in energy storage will need to be installed to meet fluctuations in peak energy demands and generation...
Water vapor condenses into liquid water when it encounters a cold surface. If the surface temperature is sufficiently low, freezing follows the condensation step, and the process is holistically referred to as condensation frosting. Both phase change processes are fundamental to many industries ranging from water harvesting, thermal management, solar...
Recent advances in high-performance computing have resulted in massive databases of materials properties calculated with techniques such as ab initio density functional theory. In fact, some of the largest of such databases have calculations of nearly all distinct, ordered, experimentally-reported compounds. This thesis discusses the application of data in one...
Polymers occupied nearly every facet of our daily lives, and enhancing their mechanical and fracture properties has long been an important topic in the field of polymer science. Based on the various need in applications, polymers are designed to have a range of characteristics such as tackiness, optical properties, mechanical...
Electrochemical cell devices are increasingly being sought for energy conversion and storage applications due to their high efficiencies and their potential for operating free of greenhouse gas (GHG) emissions. Solid Acid Electrochemical Cells (SAECs), which most commonly employ CsH2PO4 (CDP) as the electrolyte component, are uniquely suited to meet the...