Related papers: Hydrogen Diffusion and Stabilization in Single-cry…
Specific heat measurements of hydrogenated amorphous silicon prepared by hot-wire chemical vapor deposition show a large density of two-level systems at low temperature. Annealing at 200 {\deg}C, well below the growth temperature, does not…
A systematic study of NaxCoO2 (x=0.50 - 0.90) and NaxCoO2 yH(D)2O (x=0.26 - 0.42, y=1.3) has been performed to determine phase stability and the effect of hydration on the structural and superconducting properties of this system. We show…
Frozen hydrogen filaments or droplets/pellets in vacuum are of great interest as target for many experiments at hadron and lepton accelerators as well as at high-power laser systems. Especially in case of large distances between the…
We investigated nonlinear conduction in bulk single crystals of VO2 with precise temperature control. Two distinct nonequilibrium phenomena were identified: a gradual reduction of the charge gap and a current-induced insulator-metal…
We report the successful synthesis of nanotubules of thermoelectric materials gamma-NaxCoO2 using two different sol-gel routes aided by porous anodized aluminium oxide (AAO) membrane as supporting templates. The gamma-NaxCoO2 nanotubule…
We report the transmission over a wide frequency range (far infrared - visible) of pristine and hole-doped, free-standing carbon nanotube films at temperatures between 50 K and 300 K. Optical constants are estimated by Kramers-Kronig…
Hydrogen is widely regarded as a cornerstone of future low-carbon energy technologies, yet the lack of safe, efficient, and reversible solid-state storage materials remains a major barrier to its large-scale deployment. Although porous…
Self-diffusion parameters in stoichiometric B2-NiAl solid state crystals were estimated by molecular statics/dynamics simulations with the study of required simulation time to stabilise diffusivity results. An extrapolation procedure to…
High-purity and homogeneous YBa2Cu3Oy single crystals with carrier doping level near the AFM-SC boundary have been obtained in the oxygen content range between y = 6.340 and 6.370. The crystals are ortho-II phase at room temperature and…
Molecular hydrogen in silicon has been studied by path-integral molecular dynamics simulations in the canonical ensemble. Finite-temperature properties of these point defects were analyzed in the range from 300 to 900 K. Interatomic…
Aims. The mobility of H atoms on the surface of interstellar dust grains at low temperature is still a matter of debate. In dense clouds, the hydrogenation of adsorbed species (i.e., CO), as well as the subsequent deuteration of the…
The proton dynamics of a 2D water monolayer confined inside a graphene slit pore is studied in Cartesian and molecular frames of reference using molecular dynamics simulations. The vibrational density of states of the proton was calculated…
The diffusion of atoms and radicals on interstellar dust grains is a fundamental ingredient for predicting accurate molecular abundances in astronomical environments. Quantitative values of diffusivity and diffusion barriers usually rely…
A molecular level understanding of the properties of electroactive vanadium species in aqueous solution is crucial for enhancing the performance of vanadium redox flow batteries (RFB). Here, we employ Car-Parrinello molecular dynamics…
We have investigated the dynamics of Na ions in amorphous Na2Si2O5, a potential solid electrolyte material for Na-battery. We have employed quasielastic neutron scattering (QENS) technique in the amorphous Na2Si2O5 from 300 to 748 K to…
We investigate the occurrence of waterlike thermodynamic and dynamic anomalous behavior in a one dimensional lattice gas model. The system thermodynamics is obtained using the transfer matrix technique and anomalies on density and…
We have found a remarkably large response of the transition temperature of CaFe2As2 single crystals grown out of excess FeAs to annealing / quenching temperature. Whereas crystals that are annealed at 400 C exhibit a first order phase…
Transition metal dichalcogenides (TMDs) exist in various crystal structures with semiconducting, semi-metallic, and metallic properties. The dynamic control of these phases is of immediate interest for next generation electronics such as…
The nonstoichiometric NaxCoO2 system exhibits extraordinary physical properties that correlate with temperature and Na concentration in its layered lattice without evident long-range structure modification when conventional crystallographic…
A 13.56 MHz RF discharge in hydrogen was studied within the pressure range of 1-17 10 Pa, and at power range of 400-1000 W. The electron energy distribution function and 18 electron density were measured by a Langmuir probe. The gas…