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Structural and ion-ordering phase transitions limit the viability of sodium-ion intercalation materials in grid scale battery storage by reducing their lifetime. However, the combination of phenomena in nanoparticulate electrodes creates…
The intermittency of solar and wind power can be addressed by integrating them with Solid Oxide Cells (SOCs). This study delves into the transient characteristics of SOCs and their dependence on dynamic heat and mass transfer processes.…
Transition metal (TM) oxide heterostructure superlattices have attracted great attention in research communities because of their emergent interfacial phenomena that do not exist in the bulk form. In order to understand the mechanisms that…
Development of materials for electrochemical energy conversion requires a deep understanding of the factors governing chemical and physical rates at submicron length scales. Many workers have sought to develop chemically sensitive in situ…
Reduction in metal-oxide thin films has been suggested as the key mechanism responsible for forming conductive nanofilaments within solid-state memory devices, enabling their resistive switching capacity. The quantitative spatial…
The possible importance of oxide formation for the catalytic activity of transition metals in heterogenous oxidation catalysis has evoked a lively discussion over the recent years. On the more noble transition metals (like Pd, Pt or Ag) the…
High-throughput analysis of multidimensional transmission electron microscopy (TEM) datasets remains a significant challenge, limiting the broader impact on strategic materials research. Conventional workflows typically involve sequential,…
Cu$_2$O has appealing properties as an electrode for photo-electrochemical water splitting, yet its practical performance is severely limited by inefficient charge extraction at the interface. Using hybrid DFT calculations, we investigate…
A spatial stochastic model is developed which describes the 3D nanomorphology of composite materials, being blends of two different (organic and inorganic) solid phases. Such materials are used, for example, in photoactive layers of hybrid…
We present the electro-thermal characterization of transition-edge sensor (TES) detectors suspended on Si membranes fabricated using a silicon-on-insulator (SOI) wafer. The use of an all-silicon fabrication platform, in contrast to the more…
Soot is an important material with impacts that depend on particle morphology. Transmission electron microscopy (TEM) represents one of the most direct routes to qualitatively assess particle characteristics. However, producing quantitative…
Microstructural evolution of NMC secondary particles during the battery operation drives the electrochemical performance and impacts the Li-ion battery lifetime. In this work, we develop an in situ methodology using the FIB/SEM instrument…
The potential of mean-field decomposition techniques in interpreting electronic transitions in molecules is explored, particularly, the usefulness of these for offering computational signatures of different classes of such excitations. When…
Reactive oxygen and nitrogen species (ROS and RNS) play important roles in various physiological processes (e.g., phagocytosis) and pathological conditions (e.g., cancer). The primary ROS/RNS, viz., hydrogen peroxide, peroxynitrite ion,…
The efficiency of active learning (AL) approaches to identify materials with desired properties relies on the knowledge of a few parameters describing the property. However, these parameters are unknown if the property is governed by a high…
Complex oxide perovskites have been widely studied for their diverse functional properties. When dimensionally reduced to epitaxial thin films and heterostructures these properties are frequently tunable, and the symmetry-breaking inherent…
The quasi 2D electron system (q2DES) that forms at the interface between LaAlO3 and SrTiO3 has attracted much attention from the oxide electronics community. One of its hallmark features is the existence of a critical LaAlO3 thickness of 4…
We studied dynamics of Au (001) surface in situ in 0.1 M HClO4 electrolyte solution using both coherent x-ray scattering and scanning tunneling microscopy (STM). The surface of Au (001) is known to reconstruct at cathodic potentials; the…
A first-principles atomic orbital-based electronic structure method is used to investigate the low index surfaces of rutile Titanium Dioxide. The method is relatively cheap in computational terms, making it attractive for the study of oxide…
The analysis of the electronic surface properties of transition metal oxides being key materials for future nanoelectronics requires a direct characterization of the conductivity with highest spatial resolution. Using local conductivity…