相关论文: Modelling a new, low CO2 emissions, hydrogen steel…
The transition to sustainable green hydrogen production demands innovative electrocatalyst design strategies that can overcome current technological limitations. This study introduces a comprehensive data-driven approach to predicting and…
The last years saw a renewal of interest for hypersonic research in general and regenerative cooling specifically, with a large increase of the number of dedicated facilities and technical studies. In order to quantify the heat transfer in…
Nonelectrochemical hydrogen peroxide direct synthesis (HPDS) under ambient conditions is an environmentally benign and energy-efficient process that produces a green oxidizer. Despite its industrial importance, the reaction mechanism of…
The CREMA collaboration is pursuing a measurement of the ground-state hyperfine splitting (HFS) in muonic hydrogen ($\mu$p) with 1 ppm accuracy by means of pulsed laser spectroscopy. In the proposed experiment, the $\mu$p atom is excited by…
When solid-state redox-driven phase transformations are associated with mass loss, vacancies are produced that develop into pores. These pores can influence the kinetics of certain redox and phase transformation steps. We investigated the…
Within the environmental context, numerical modeling is a promising approach to assessing the energy efficiency of buildings. Resilient buildings need to be designed, and capable of adapting to future extreme heat. Simulations are required…
The goal of this paper is to assess the utility of Reduced-Order Models (ROMs) developed from 3D physics-based models for predicting transient thermal power output for an enhanced geothermal reservoir while explicitly accounting for…
A new model for the intermediate compound of the hydrogen evolution reaction (HER) is proposed, for the electrochemical reduction of hydrogen in the presence of bisulfate on platinum(111). The formation of this compound, a regular 2…
High-Resolution Multi-scale Modeling Frameworks (HR) -- global climate models that embed separate, convection-resolving models with high enough resolution to resolve boundary layer eddies -- have exciting potential for investigating low…
The complexity of the topological and combinatorial configuration space of MXenes can give rise to gigantic design challenges that cannot be addressed through traditional experimental or routine theoretical approaches. To this end, we…
A parametric, hybrid reduced order model approach based on the Proper Orthogonal Decomposition with both Galerkin projection and interpolation based on Radial Basis Functions method is presented. This method is tested against a case of…
As a result of the 2021 United Nations Climate Change Conference (COP26), several countries committed to phasing down coal electricity as soon as possible, deactivating hundreds of power plants in the near future. CO$_2$-free electricity…
Despite significant advancements in electrocatalysis for clean hydrogen fuel generation, the transition from concept to commercialization faces challenges due to the instability of electrocatalysts. This study delves into the exploration of…
This work reports the design, manufacturing and catalytic activity characterization of a micro-reformer for hydrogen-rich gas generation integrated in portable-solid oxide fuel cells (u-SOFCs). The reformer has been designed as a silicon…
Metal hydrides are promising candidates for hydrogen storage applications. From a materials discovery perspective, an accurate, efficient computational workflow is urgently required that can rapidly analyze/predict thermodynamic properties…
Dissociative chemisorption is a key process in hydrogen-metal surface chemistry, where nonadiabatic effects due to low-lying electron-hole-pair excitations may affect reaction outcomes. Molecular dynamics with electronic friction…
Laterally nanostructured surfaces give rise to a new dimension of understanding and improving electrochemical reactions. In this study, we present a peculiar mechanism appearing at a metal/insulator interface, which can significantly…
CO2 hydrogenation to hydrocarbon refers to an indirect pathway of CO2 utilization. Among them, the conversion of CO2 with green H2 to sustainable aviation fuel (SAF) with high energy density has gained much attention. It offers a promising…
We consider the problem of hydrogen storage integration in microgrids to improve the electricity supply resilience. Nonlinear effects from electrochemical models of electrolyzers and fuel cells for hydrogen storage are considered, making…
An electrocatalyst is needed to efficiently lower the reaction barriers to produce hydrogen through the H2 evolution reaction (HER). Recently, two-dimensional transition metal dichalcogenides (2D TMDs), such as the pure 2D monolayer MoTe2…