Related papers: Parallelising Electrocatalytic Nitrogen Fixation B…
The kinetics of the oxygen reduction reaction (ORR) on the practical air cathode in a Lithium air cell, which is conventionally composed of porous carbon with or without catalysts supported on it, was investigated. The mechanism and…
Developing cost-effective and high-performance electrodes is critical for advancing hydrogen (H$_2$) production through electrochemical water splitting. In this study, we present a novel electrode design by depositing a $\beta$-MnO$_2$…
The current work studies the electrocatalytic performance of NaNbO$_3$ microcubes decorated with WO$_3$ nanoparticles on Printex L6 at varying concentrations (1%, 3%, 5%, and 10% by weight) for H$_2$O$_2$ electrogeneration aiming for future…
Hybrid nanoparticles allow exploiting the interplay of confinement, proximity between different materials and interfacial effects. However, to harness their properties an in-depth understanding of their (meta)stability and interfacial…
We develop an alternative time-dependent numerical renormalization group (TDNRG) formalism for multiple quenches and implement it to study the response of a quantum impurity system to a general pulse. Within this approach, we reduce the…
A model for the nucleon-antinucleon interaction is presented which is based on meson-baryon dynamics. The elastic part is the $G$-parity transform of the Bonn $NN$ potential. Annihilation into two mesons is described in terms of microscopic…
Renewable power-to-hydrogen (ReP2H) enables large-scale renewable energy utilization and supports the decarbonization of hard-to-abate sectors, such as chemicals and maritime transport, via hydrogen-based renewable ammonia and methanol…
The longitudinal asymmetry induced by parity-violating (PV) components in the nucleon-nucleon potential is studied in the charge-exchange reaction 3He(n,p)3H at vanishing incident neutron energies. An expression for the PV observable is…
An analysis method is proposed to study the forward-backward (FB) multiplicity fluctuation in high-energy nuclear collisions, built on the earlier work of Bzdak and Teaney. The method allows the decomposition of the centrality dependence of…
Pt-based electrocatalysts are the primary choice for fuel cells due to their superior oxygen reduction reaction (ORR) activity. To enhance ORR performance and durability, extensive studies have investigated transition metal alloying,…
This paper presents a highly-parallelizable parallel-in-time algorithm for efficient solution of nonlinear time-periodic problems. It is based on the time-periodic extension of the Parareal method, known to accelerate sequential…
Recent computational studies have predicted many new ternary nitrides, revealing synthetic opportunities in this underexplored phase space. However, synthesizing new ternary nitrides is difficult, in part because intermediate and product…
Multiphase flow is a critical process in a wide range of applications, including oil and gas recovery, carbon sequestration, and contaminant remediation. Numerical simulation of multiphase flow requires solving of a large, sparse linear…
Fossil-free ironmaking is indispensable for reducing massive anthropogenic CO2 emissions in the steel industry. Hydrogen-based direct reduction (HyDR) is among the most attractive solutions for green ironmaking, with high technology…
First-row transition metal oxides and chalcogenides have been found to rival the performance of precious metal-based catalysts for the interconversion of water and O$_2$. The high lability of the first-row transition metal ions leads to…
The recently-discovered high-temperature superconductor La$_3$Ni$_2$O$_7$ under high pressure has stimulated intensive debates. Key controversies concern interlayer versus intralayer pairing scenarios and if the hybridization plays a key…
Electric vehicle (EV) coordination can provide significant benefits through vehicle-to-everything (V2X) by interacting with the grid, buildings, and other EVs. This work aims to develop a V2X value-stacking framework, including…
In view of the application to supernova simulations, we calculate neutrino reaction rates with nucleons via the neutral and charged currents in the supernova core in the relativistic random phase approximation (RPA) and study their effects…
In this paper, we demonstrate NiCo$_2$O$_4$ (NCO) as an efficient new nonlinear optical material with straightforward potential applications in optical limiting devices. We obtain nonlinear absorption coefficient ($\beta$) and nonlinear…
In the face of escalating complexity and size of contemporary FPGAs and circuits, routing emerges as a pivotal and time-intensive phase in FPGA compilation flows. In response to this challenge, we present an open-source parallel routing…