Related papers: Thermal stability of cubane C8H8
The use of excessively long timesteps in dissipative particle dynamics simulations may produce simulation artifacts due to the generation of configurations which are not representative of the desired canonical ensemble. The configurational…
We report the first detailed decay studies of trapped metastable (2S) hydrogen. By two-photon excitation of ultracold H samples, we have produced clouds of at least 5x10^7 magnetically trapped 2S atoms at densities greater than 4x10^10…
Vacuum heat treatment of mechanically-alloyed powders of boron and aluminum leads to formation of a metastable Al-rich phase, which can be quenched. Its structure, composition, and thermal stability are established. With chemical formula…
We study the influence of different metallic substrates on the electron induced heating and heat dissipation of single C60 molecules in the junction of a low temperature scanning tunneling microscope. The electron current passing through…
High-pressure structural searches of superhydrides CeBeH$_8$ and CeBH$_8$ were performed under ambient pressure up to 300 GPa. We identify $Fm\overline{3}m$-CeBeH$_8$ with a superconducting transition temperature $T_{c}$ of 56 K at 10 GPa.…
Molecular dynamics simulations and free energy calculations were employed to investigate the evolution, formation probability, detailed balance and isomerization rate of small C cluster isomers at 2500 K. For C10, the isomer formation…
Electronic structure calculations using the augmented spherical wave method have been performed for CuRhO2. For this semiconductor crystallizing in the delafossite structure, it is found that the valence band maximum is mainly due to the 4d…
The solid-state reaction was used to synthesize CoO2 nanostructured material. Cobalt nitrate tetrahydrate and sodium oxide (NaOH) were combined to produce CoO2 nanostructured material. The three synthesized working electrodes were each…
Pure carbon clusters have received considerable attention for a long time. However, fundamental questions such as what the smallest stable carbon cluster dication is remain unclear. Here, we investigated the stability and fragmentation…
The observed cooling rate of hot gas in clusters is much lower than that inferred from the gas density profiles. This suggests that the gas is being heated by some source. We use an adaptive-mesh refinement code (FLASH) to simulate the…
The detailed study of the selected thermodynamic properties of the superconducting phase in the molecular hydrogen under the pressure at 428 GPa has been presented. For the increasing value of the Coulomb pseudopotential,…
Using a Becker-D\"oring type model including cluster incorporation, we study the possibility of conversion of stable crystals to metastable crystals in a solution by a periodic change of temperature. At low temperature, both stable and…
We describe experiments where 2D atomic hydrogen gas is compressed thermally at a small "cold spot" on the surface of superfluid helium and detected directly with electron-spin resonance. We reach surface densities up to 5e12 1/cm^2 at…
Prediction of high-$T_{\rm{c}}$ superconductivity in hole-doped Li$_x$BC two decades ago has brought about an extensive effort to synthesize new materials with honeycomb B-C layers, but the thermodynamic stability of Li-B-C compounds…
The correlation between the condensation energy and the critical temperature is studied within a charge ordered superlattice bilayer model in which pairing is supported by inter-layer Coulomb energy gain (potential energy driven…
We present new results of the ``0.7'' 2(e^2)/h structure or quasi plateau in some of the most strongly confined point contacts so far reported. This strong confinement is obtained by a combination of shallow etching and metal gate…
Thermal stability of silicene and thin silicon films is studied by molecular dynamics using two machine-learning potentials, SNAP and GAP. For SNAP potential, systems ranging from a single silicene layer to films of 36 layers are…
Enhancing the temperature at which superconductivity is observed is a long-standing objective for materials scientists. Recent tantalizing experiments suggest a possible route for achieving this.
We have studied the microscopic dynamics of hydrogen adsorbed to bundles of single walled carbon nanotubes using inelastic neutron scattering. Evidence is obtained for much higher storage capacities in chemically treated compared to as…
Mg$_2$IrH$_6$ is a metastable complex metal hydride with a predicted superconducting transition temperature as high as 170 K at ambient pressure. Following the synthesis of isomorphic, insulating Mg$_2$IrH$_5$ at low pressure,…