Related papers: Decomposition of formic acid
Formic acid is a promising liquid hydrogen carrier, but its catalytic decomposition requires both high activity and selectivity toward dehydrogenation. Here, we investigated the catalytic activity and selectivity of formic acid…
Four cluster models for a copper(I)oxide (111) surface have been designed, of which three were studied with respect to their applicability in density functional calculations in the general gradient approximation. Formic acid adsorption on…
The effect of ethanol-water media on the synthesis of Ag/TiO2 nanocomposite was investigated with 0.05, 0.1 and 0.5 (wt.%) of Ag content. Ethanol was used as hole-scavenger enhancing the photodecomposition of Ag+ ions under illumination of…
Formic acid is much more abundant in the solid state, both in interstellar ices and cometary ices, than in the interstellar gas (ice/gas ~ 10^{4}) and this point remains a puzzle. The goal of this work is to experimentally study ionization…
Formic acid (HCOOH) has been extensively detected in space environments, including interstellar medium (gas and grains), comets and meteorites. Such environments are often subjected to the action of ionizing agents, which may cause changes…
The isomerism of molecules in the interstellar medium and the mechanisms behind it are essential questions in the chemistry of organic molecules in space. In particular, for the simple formic and thioformic acids, the low temperatures found…
To explore the potential of molecular gas treatment of freshly cut lithium foils in non-electrolyte based passivation of high energy-density Li anodes, density functional theory (DFT) has been used to study the decomposition of molecular…
The mechanisms of magnesium hydride formation and thermal decomposition are directly examined using in-situ imaging.
Based on recent work, formamide might be a potentially very important molecule in the emergence of terrestrial life. Although detected in the interstellar medium for decades, its formation route is still debated, whether in the gas phase or…
Decomposition of atomic motion into individual normal modes has led to remarkable success in microscopically understanding thermal properties and thermodynamics in simple solids. We start this chapter with an example of decomposing atomic…
The double proton transfer (DPT) reaction in hydrated formic acid dimer (FAD) is investigated at molecular-level detail. For this, a global and reactive machine learned (ML) potential energy surface (PES) is developed to run extensive (more…
Let $F$ be a homogeneous form of degree $d$ in $n$ variables. A Waring decomposition of $F$ is a way to express $F$ as a sum of $d^{th}$ powers of linear forms. In this paper we consider the decompositions of a form as a sum of expressions,…
The carbon atom distribution in a tempered martensitic steel processed by cold drawing was investigated with a three-dimensional atom probe. Data clearly show that cementite starts to decompose at the early stage of deformation. This…
Rapid solidification leads to unique microstructural features, where a less studied topic is the formation of various crystalline defects, including high dislocation densities, as well as gradients and splitting of the crystalline…
The enhanced degradation of organophosphorous-based chemical warfare agents (CWAs) on metal-oxide surfaces holds immense promise for neutralization efforts; however, the underlying mechanisms in this process remain poorly understood. We…
Copper is a good CO2 electroreduction catalyst as products beyond CO form, but efficiency and selectivity is low. Experiments have shown that admixture of other elements can help, and computational screening studies have pointed out various…
Thioformic acid (TFA) is the sulfur analog of formic acid, the simplest organic acid. It has three analogues HCOSH, HCSOH, and HCSSH, each of them having two rotational isomeric (rotameric) forms: trans and cis where the trans form is…
We demonstrate how the mixed dynamic form factor (MDFF) can be interpreted as a quadratic form. This makes it possible to use matrix diagonalization methods to reduce the number of terms that need to be taken into account when calculating…
The decomposition of multiport interferometers is a fundamental tool in quantum optics and computing. This note aims to serve as a concise reference for performing the decomposition according to the most common design approaches, offering a…
Atomic force microscopy (AFM) can be used to characterise several aspects of the surface degradation and reinforcement mechanisms of zirconia based ceramics, such as crack propagation, martensitic relief formation, grains pull-out and…