Colloidal crystal engineering with DNA offers new opportunities for materials scientists to build and program the structures of superlattices beyond what can be accomplished in Nature with atomic crystal lattices. Thus far, such materials primarily have been studied for their optical properties due to the insulating nature of the DNA...
The heart of computational materials science lies in providing fundamental insights and understanding of materials behavior and properties across different scales. The significance of this task is highlighted by the Materials Genome Initiative and the emergence of computational tools and frameworks such as materials by design, microstructure sensitive design, and...
Nucleic acids not only are the building blocks of life but also a class of attractive macromolecular therapeutics. However, the delivery of therapeutic oligonucleotides into cells has been a major challenge due to their large size and highly negatively charged backbone. Spherical nucleic acids (SNAs) are a class of emerging...
Non-covalent and ion-specific interactions in the context of charged polymers are ubiquitous in nature and in synthetic applications. For example, mussels utilize metal-coordinate bonds to form tough underwater adhesion to a wide range of substrates. The sandcastle worm uses coacervation of oppositely charged polymers to build robust structures for self-defense....
To relate the mechanical responses of hard-soft copolymer systems with their microstructures, a coarse-grained molecular dynamics (CGMD) approach is employed. With the generic bead-spring polymer model mapped from atomistic simulations, this dissertation first studies the morphology of structures with various hard-soft compositions and interactions between hard beads. Following that, this...
The start of the 21st century brought the sweeping proliferation of portable electronics such as laptops, tablets, and smartphones. These technologies were largely enabled by advances in energy storage methods – lithium ion batteries in particular. Society's push for more advanced energy storage applications, such as electric vehicles, stresses the...
Two-dimensional (2D) materials are a promising class of electronic materials that have generated great interest to improve and create new and existing technologies. The promise of this family of materials relies on their high surface-to-volume ratio and atomic thickness in addition to their unique (opto)electric properties. However, these morphological properties...
In the United States and around the world, the growing energy demands and climate concerns necessitate renewable and efficient energy production. Thermoelectric materials could be one small part of this larger picture movement, but their high cost and low efficiency must be improved to realize commercial use. To decrease the...
Soft materials such as colloids and polymers often exhibit a variety of mesoscopic structures that are governed merely by weak physical interactions. Due to these intermediate structures, they can be easily taken out of thermal equilibrium by introducing external stimuli such as a shear flow and electromagnetic fields. This thesis...
One of the grand challenges in science is development of soft materials that mimic living organisms to optimize the way we use energy, translate or morph reversibly or sense their envi- ronment and respond in a useful fashion. Using the insights from studying biological structures, we hope to design soft...