Related papers: Optimized tandem catalyst patterning for CO$_2$ re…
In this paper, we introduce a density-based topology optimization framework to design porous electrodes for maximum energy storage. We simulate the full cell with a model that incorporates electronic potential, ionic potential, and…
In the current industry, the development of optimized mechanical components able to satisfy the customer requirements evolves quickly. Therefore, companies are asked for efficient solutions to improve their products in terms of stiffness…
Low-level sensory data processing in many Internet-of-Things (IoT) devices pursue energy efficiency by utilizing sleep modes or slowing the clocking to the minimum. To curb the share of stand-by power dissipation in those designs,…
We study the ring-opening decomposition of ethylene carbonate in the presence of a single lithium atom and on the surface of lithium metal. Combining accurate electronic structure theory, enhanced sampling, and machine learning, we…
Optimal behaviours of a system to perform a specific task can be achieved by leveraging the coupling between trajectory optimization, stabilization, and design optimization. This approach is particularly advantageous for underactuated…
Flow of particles of two different species through a narrow channel with solely two discrete spatial positions is analyzed with respect to the species' capability to cooperate or compete for transport. In contrast to mean field approaches,…
We introduce a neural network-driven robust optimisation framework that integrates data-driven domain as a constraint into the nonlinear programming technique, addressing the overlooked issue of domain-inconsistent solutions arising from…
Understanding the migration and trapping of CO$_2$ in the subsurface is vital to geologic carbon storage projects. Traditional characterization methods employ steady-state co-injection experiments to determine relative permeability and…
Identifying and controlling active sites in electrocatalysis remains a grand challenge due to restructuring of catalysts in the complex chemical environments during operation. Inactive precatalysts can transform into active catalysts under…
Reducible oxides are widely used catalyst supports that can increase oxidation reaction rates by transferring their lattice oxygen at the metal-support interface. The interfacial oxidation process is typically described in terms of a…
Under the dual background of deep adjustment of global energy pattern and severe challenges of environmental problems, solid oxide fuel cell (SOFC) has become the focus of research on efficient and clean energy conversion technology due to…
Identifying low-energy adsorption geometries on catalytic surfaces is a practical bottleneck for computational heterogeneous catalysis: the difficulty lies not only in the cost of density functional theory (DFT) but in proposing initial…
When designing distributed controllers for large-scale systems, the actuation, sensing and communication architectures of the controller can no longer be taken as given. In particular, controllers implemented using dense architectures…
Near-field and radiation coupling between nearby radiating elements is unavoidable, and it is considered a limiting factor for applications in wireless communications and active sensing. This article proposes a density-based topology…
A one-dimensional and stationary reactor model is presented to describe the catalytic conversion of a gaseous hydrocarbon fuel with air and steam to synthesis gas by autothermal reforming (ATR) and catalytic partial oxidation (CPO). The…
Cobalt-porphyrin catalyzed reductive decomposition of CO2 to CO is investigated based on Koper's water facilitated CO2 reduction mechanism using a simple but accurate protocol based on thermodynamics. In our protocol, accurate predictions…
A Ni/CeO2/ZrO2 catalyst with improved redox properties has been washcoated onto a honeycomb cordierite monolith in the form of a nonconventional alumina-catalyst layer, just a few nanometer thick. In spite of the very low active phase…
We demonstrate how to incorporate a catalyst to enhance the performance of a heat engine. Specifically, we analyze efficiency in one of the simplest engines models, which operates in only two strokes and comprises of a pair of two-level…
This research delves into optimizing mechanism design, with an emphasis on the energy efficiency and the expansive design possibilities of reciprocating mechanisms. It investigates how to efficiently integrate Computer-Aided Design (CAD)…
Catalysis has entered everyday life through a number of technological processes relying on different catalytic systems. The increasing demand for such systems requires rationalization of the use of their expensive components, like noble…