Related papers: Prediction of an alternative route to polymeric ca…
Many layered materials can be cleaved down to individual atomic planes, similar to graphene, but only a small minority of them are stable under ambient conditions. The rest reacts and decomposes in air, which has severely hindered their…
A number of simple pair interaction potentials of the carbon dioxide molecule are investigated and found to underestimate the magnitude of the second virial coefficient in the temperature interval 220 K to 448 K by up to 20%. Also the third…
Well-established textbook arguments suggest that static electric susceptibility must be positive in "all bodies" [1]. However, it has been pointed out that media that are not in thermodynamic equilibrium are not necessarily subject to this…
CO2 conversion into value-added products has gained significant interest over the few last years, as the greenhouse gas concentrations constantly increase due to anthropogenic activities. Here we report on experiments for CO2 conversion by…
A first-order analysis concludes it is feasible to store the carbon needed to meet the Paris targets in structural materials and use less energy and at a lower cost than our use of extractive materials, steel, aluminum, and concrete.…
Due to its high energy efficiency and environmental friendliness, solid-state cooling based on the barocaloric (BC) effect represents a promising alternative to traditional refrigeration technologies relying on greenhouse gases. Plastic…
By employing first-principles metadynamics simulations, we explore the 300 K structures of solid hydrogen over the pressure range 150-300 GPa. At 200 GPa, we find the ambient-pressure disordered hexagonal close-packed (hcp) phase transited…
Multiferroic materials, in which ferroelectric and magnetic ordering coexist, are of fundamental interest for the development of multi-state memory devices that allow for electrical writing and non-destructive magnetic read-out operation.…
The extreme pressures required to stabilize the recently discovered superhydrides represent a major obstacle to their practical application. In this paper, we propose a novel route to attain high-temperature superconductivity in hydrides at…
A novel allotrope of carbon with $P2/m$ symmetry was identified during an \emph{ab-initio} minima-hopping structural search which we call $M10$-carbon. This structure is predicted to be more stable than graphite at pressures above 14.4 GPa…
Among the family of TMDs, ReS2 takes a special position, which crystalizes in a unique distorted low-symmetry structure at ambient conditions. The interlayer interaction in ReS2 is rather weak, thus its bulk properties are similar to that…
Understanding the lifetime of CO2 in the atmosphere is critical for predictions regarding future climate changes. A simple mass conservation analysis presented here generates tight estimations for the atmosphere's retention time constant.…
We show that two-dimensional systems of deformable particles undergo a continuous liquid-hexatic transition upon compression or cooling, but no hexatic-solid transition-even at zero temperature and high density. Numerical simulations reveal…
Nanocellular polyetherimide exhibits significant improvements in mechanical properties like toughness and impact resistance, commonly associated with the presence of nanoporosity. However, this work demonstrates these enhancements, often…
We theoretically investigate the temperature dependence of the reversible structural relaxation time and diffusion constant of metallic glasses under pressure. The compression not only changes the glassy dynamics, but also generates a…
Plasma processes are an innovative approach for the decomposition of CO2 in O radicals and CO as a valuable carbon source. In this experimental work, a tubular dielectric barrier discharge operating at atmospheric pressure has been used to…
Old and novel layered structures are attracting increasing attention for their physical, electronic, and frictional properties. SiS$_2$, isoelectronic to SiO$_2$, CO$_2$ and CS$_2$, is a material whose phases known experimentally up to 6…
Ionized carbon is the main gas-phase reservoir of carbon in the neutral diffuse interstellar medium and its 158 micron fine structure transition [CII] is the most important cooling line of the diffuse interstellar medium (ISM). We combine…
Biphasic interfaces are complex but fascinating regimes that display a number of properties distinct from those of the bulk. The CO$_2$-H$_2$O interface, in particular, has been the subject of a number of studies on account of its…
We employ ab initio modeling to investigate the possibility of attaining high-temperature conventional superconductivity in ambient-pressure materials based on the known MgB$_2$C$_2$ and recently proposed thermodynamically stable NaBC…