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We report a combined experimental and theoretical study on the formation of O2+ by electronimpact double ionization and fragmentation of carbon dioxide (CO2) molecule. Through fragment ions and electron coincidence momentum imaging, we…
The solid solution of antimonide-oxides Ba1-xKxTi2Sb2O (0 < x < 1) has been synthesized by solid-state reactions and characterized by X-ray powder diffraction (CeCr2Si2C-type structure; P4/mmm, Z = 1). The crystal structure consists of…
With the advent of JWST ice observations, dedicated studies on the formation reactions of detected molecules are becoming increasingly important. One of the most interesting molecules in interstellar ice is CO$_2$. Despite its simplicity,…
Here, we report the catalytic degradation of organic compounds by exploiting the magnetoelectric (ME) nature of cobalt ferrite-bismuth ferrite (CFO-BFO) core-shell nanoparticles. The combination of magnetostrictive CFO with the multiferroic…
We derive the universal relations for an ultracold two-component Fermi gas with spin-orbit coupling (SOC) $\sum_{\alpha,\beta=x,y,z}\lambda_{\alpha\beta}\sigma_{\alpha}p_{\beta}$, where $p_{x,y,z}$ and $\sigma_{x,y,z}$ are the single-atom…
The hydroxyl radical is the primary reactive oxygen species produced by the radiolysis of water, and is a significant source of radiation damage to living organisms. Mobility of the hydroxyl radical at low temperatures and/or high pressures…
We systematically study the dissociation of H2 molecules on the {\beta}-Ga2O3 (100)B surface, with the influences of surface oxygen vacancy being considered. After introducing the surface oxygen vacancy, the nearest topmost O(I) atom…
Surface oxidation processes are crucial for the functionality of Cu-based catalytic systems used for methanol synthesis, partial oxidation of methanol or the water-gas shift reaction. We assess the stability and population of the…
Using density-functional theory, we predict that the oxidation of the Ru(0001) surface proceeds via the accumulation of sub-surface oxygen in two-dimensional islands between the first and second substrate layer. This leads locally to a…
Pd(111) has recently been shown to exhibit a propensity to form a sub-nanometer thin surface oxide film already well before a full monolayer coverage of adsorbed O atoms is reached on the surface. Aiming at an atomic-scale understanding of…
There is no vaccine or specific antiviral treatment for COVID-19. One current focus is drug repurposing research, but those drugs have limited therapeutic efficacies and known adverse effects. The pathology of COVID-19 is essentially…
Carbon dioxide (CO$_2$) is one of the most important interstellar molecules. While it is considered that it forms on the surface of interstellar dust grains, the exact contribution of different chemical mechanisms is still poorly…
2D materials present an interesting platform for device designs. However, oxidation can drastically change the system's properties, which need to be accounted for. Through {\it ab initio} calculations, we investigated freestanding and…
High-entropy oxides (HEOs), as a new family of materials with five or more principal cations, have shown promising properties for various applications. In this work and inspired by inherent defective and strained structure of HEOs,…
A number of degradation mechanisms have been observed during the long-term operation of solid oxide electrolysis cells (SOEC). Using an electrolyte charge carrier transport model, we quantify the oxygen potentials across the electrolyte and…
Structures of chemical compounds can be synthesized and categorized through mathematical means. Organic compounds are suitable targets because of their simple valences. Acyclic organic compounds made of hydrogen and second-row elements C,…
A subset $U$ of a set $S$ with a binary operation is called {\it avoidable} if $S$ can be partitioned into two subsets $A$ and $B$ such that no element of $U$ can be written as a product of two distinct elements of $A$ or as the product of…
We propose a new expression of the cooperative decay rate of a one-dimensional chain of N two-level atoms in the single-excitation configuration. From it, the interference nature of superradiance and subradiance arises naturally, without…
In this paper we introduce the concept of O-asymptotic classes of finite structures, melding ideas coming from 1-dimensional asymptotic classes and o-minimality. The results we present here include a cell-decomposition result for…
Perovskite oxides are promising catalysts for oxygen evolution reaction (OER), yet the huge chemical space remains largely unexplored due to the lack of effective approaches. Here, we report the distilling of accurate descriptors from…