Two-step, solar thermochemical water splitting using nonstoichiometric oxides has emerged as an attractive approach for large-scale hydrogen production. Perovskite-structured oxides, with their wide tunability, offer the potential for high fuel productivity at moderate operating temperatures. Given the vast chemical space, the materials development effort is carried out here in combination...
Continuous and coordinated materials discovery efforts have amassed a wealth of knowledge concerning many general classes of materials. The number of known phases of all structure-types, however, is far less than number of possible materials dictated by the elements on the periodic table. Recently, with improved computational abilities and well-developed...
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...
As demonstrated by efforts in graphene commercialization, scalable synthesis and high-quality material availability are primary limiting factors for the realization of technologies based on two-dimensional (2D) materials. Thus, in considering the fate of emergent 2D materials such as the metal chalcogenides, the challenge of scalable synthesis is a highly relevant...
Low-dimensional materials have emerged as a promising platform for ultrathin electronic and optoelectronic devices. The span of electronic properties covers the spectrum from metallic through small and medium bandgap semiconductors to large bandgap insulators, providing all the necessary components to fabricate a variety of devices. Compared to bulk-semiconductor based devices,...
Two-dimensional (2D) materials and heterostructures have attracted significant attention for a variety of nanoelectronic and optoelectronic applications. At the atomically thin limit, the material characteristics and functionalities are dominated by surface chemistry and interface coupling. Therefore, methods for comprehensively characterizing and precisely controlling surfaces and interfaces are required to realize...
Connecting structure and function in nanoscale engineered materials and devices relies on the analysis of the fundamental arrangement of matter, frequently under dynamic conditions. The demand to image structures at fundamental length scales has touched inorganic materials, biology, and frequently hybrid hard/soft materials with unique phenomena driven by heterogeneous components....
Functional electronic materials are difficult to design due to the complex interplay among chemistry, atomic structure, and electrical properties. This dilemma is further amplified in transition metal compounds which can defy the band-theory description of non-correlated electrons. Exploring the vast possible design space completely with experiments or first-principles simulations is...
Electrostatic interactions mediated by ionic environments play a central role in physical processes across materials science, chemistry and biology. Key biological phenomena, such as the condensation and packaging of DNA, ion transport across cellular membranes and the enzymatic action of proteins, rely on the complex interplay between nanoscale electrostatic, osmotic...
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...