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Abstract Materials can passivate by forming surface films when placed in aqueous media. However, these films may or may not be stable, and their stability can be predicted by a metric called the Pilling-Bedworth Ratio (PBR). In this article, we extend PBR to predict passivation protectiveness of multi-component materials. We then evaluate this PBR (ePBR)’s effectiveness by comparing its predictions against experimental studies of 21 multi-element materials of diverse chemistries, with agreement for 17 of the materials. Finally, we encode the methodology to compute ePBR in a web-application to predict the protectiveness of 140,000+ materials in the Materials Project database. 

The solar–to–chemical energy conversion of Earth-abundant resources like water or greenhouse gas pollutants like CO₂promises an alternate energy source that is clean, renewable, and environmentally friendly. The eventual large-scale application of such photo-based energy conversion devices can be realized through the discovery of novel photocatalytic materials that are efficient, selective, and robust. In the past decade, the Materials Genome Initiative has led to a major leap in the development of materials databases, both computational and experimental. Hundreds of photocatalysts have recently been discovered for various chemical reactions, such as water splitting and carbon dioxide reduction, employing these databases and/or data informatics, machine learning, and high-throughput computational and experimental methods. In this article, we review these data-driven photocatalyst discoveries, emphasizing the methods and techniques developed in the last few years to determine the (photo)electrochemical stability of photocatalysts, leading to the discovery of photocatalysts that remain robust and durable under operational conditions. 

We computationally investigate a method for spatiotemporally modulating a material's elastic properties, leveraging thermal dependence of elastic moduli, with the goal of inducing nonreciprocal propagation of acoustic waves. Acoustic wave propagation in an aluminum thin film subjected to spatiotemporal boundary heating from one side and constant cooling from the other side was simulated via the finite element method. Material property modulation patterns induced by the asymmetric boundary heating are found to be non-homogenous with depth. Despite these inhomogeneities, it will be shown that such thermoelasticity can still be used to achieve nonreciprocal acoustic wave propagation.