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In this study of catalytic microfluidic reactors we show that, when optimally structured, these reactors share underlying scaling properties. The scaling is predicted theoretically and verified numerically. Furthermore, we show how to…
Directly generating material structures with optimal properties is a long-standing goal in material design. One of the fundamental challenges lies in how to overcome the limitation of traditional generative models to efficiently explore the…
Numerical simulations were conducted to investigate the flow field characteristics and performance of a carbon-hydrogen/oxygen-rich air rotating detonation engine (RDE). Three distinct flow field structures were observed in the gas-solid…
An electric vehicle (EV) may be used as energy storage which allows the bi-directional electricity flow between the vehicle's battery and the electric power grid. In order to flatten the load profile of the electricity system, EV scheduling…
Determining the local coordination of the active site is a pre-requisite for the reliable modeling of single-atom catalysts (SACs). Obtaining such information is difficult on powder-based systems, so much emphasis is placed on density…
Micro-electro mechanical systems (MEMS) thermal flow sensors are increasingly used for compact, low-power flow monitoring in biomedical applications. However, silicon-based method for sensor fabrication is limited by high cost, rigidity,…
The transition to a green hydrogen economy demands robust, scalable, and sustainable anodes for alkaline water electrolysis operating at industrial current densities (>1 A/cm2). However, achieving high activity and long-term stability under…
Catalytic-materials design requires predictive modeling of the interaction between catalyst and reactants. This is challenging due to the complexity and diversity of structure-property relationships across the chemical space. Here, we…
This paper introduces a new methodology for designing and optimizing the performance of hydraulic Cross-Flow turbines for a wide range of operating conditions. The methodology is based on a one-step approach for the system-level design…
It is well known that performance of a thermophotovoltaic (TPV) device can be enhanced if the vacuum gap between the thermal emitter and the TPV cell becomes nanoscale due to the photon tunneling of evanescent waves. Having multiple…
Electrocatalytic CO2 reduction technology is key to mitigating greenhouse gas emissions and the energy crisis. However, controlling the selectivity of CO2RR products at low overpotential remains a challenge. In this paper, we predicted five…
As zero-emission zones emerge in European cities, fleet operators are shifting to electric vehicles. To maintain their current operations, a clear understanding of the charging infrastructure required and its relationship to existing power…
Topological semimetals with protected surface states mark a new paradigm of research beyond the early landmarks of band-structure engineering, allowing fabrication of efficient catalyst to harness the rich metallic surface states to…
This article presents new hexagonal and pentagonal PEM fuel cell models. The models have been optimized after achieving improved cell performance. The input parameters of the multi-objective optimization algorithm were pressure and…
In spite of the growing computational power offered by the commodity hardware, fast pump scheduling of complex water distribution systems is still a challenge. In this paper, the Artificial Neural Network (ANN) meta-modeling technique has…
Photoreduction of CO$_2$ is an important alternative approach aimed to reduce the CO$_2$ atmospheric content which is responsible of the global warming. The development of an efficient photocatalyst can strongly improve the efficiency and…
Metal-support interactions are frequently invoked to explain the enhanced catalytic activity of metal nanoparticles dispersed over reducible metal-oxide supports, yet the atomic scale mechanisms are rarely known. Here, we use scanning…
Computational catalysis is playing an increasingly significant role in the design of catalysts across a wide range of applications. A common task for many computational methods is the need to accurately compute the adsorption energy for an…
Processes involving the manufacture of fine/bulk chemicals, pharmaceuticals, biofuels, and waste treatment require plug flow characteristics to minimise their energy consumption and costs, and maximise product quality. One such versatile…
Mitigating the climate crisis requires a rapid transition towards lower-carbon energy. Catalyst materials play a crucial role in the electrochemical reactions involved in numerous industrial processes key to this transition, such as…