Superconducting hydrides under pressure
The measurement of superconductivity at above 200 K in compressed samples of hydrogen
sulfide and in lanthanum hydride at 250 K is reinvigorating the search for conventional high …
sulfide and in lanthanum hydride at 250 K is reinvigorating the search for conventional high …
Precursors for direct-write nanofabrication with electrons
Focused electron beam-induced deposition (FEBID) is a maskless, direct-write
nanolithography approach for the growth of nanostructures. In recent years, significant …
nanolithography approach for the growth of nanostructures. In recent years, significant …
Hydrogen-intercalation-induced lattice expansion of Pd@ Pt core–shell nanoparticles for highly efficient electrocatalytic alcohol oxidation
Lattice engineering on specific facets of metal catalysts is critically important not only for the
enhancement of their catalytic performance but also for deeply understanding the effect of …
enhancement of their catalytic performance but also for deeply understanding the effect of …
High-pressure hydrogen sulfide from first principles: a strongly anharmonic phonon-mediated superconductor
We use first-principles calculations to study structural, vibrational, and superconducting
properties of H 2 S at pressures P≥ 200 GPa. The inclusion of zero-point energy leads to …
properties of H 2 S at pressures P≥ 200 GPa. The inclusion of zero-point energy leads to …
Anharmonic free energies and phonon dispersions from the stochastic self-consistent harmonic approximation: Application to platinum and palladium hydrides
Harmonic calculations based on density-functional theory are generally the method of
choice for the description of phonon spectra of metals and insulators. The inclusion of …
choice for the description of phonon spectra of metals and insulators. The inclusion of …
Superconducting binary hydrides: Theoretical predictions and experimental progresses
Hydrogen, the lightest element in the periodic table, has been predicted to metalize under
extreme compression. Metallic hydrogen is believed to be a room-temperature …
extreme compression. Metallic hydrogen is believed to be a room-temperature …
Advanced development strategy of nano catalyst and DFT calculations for direct synthesis of hydrogen peroxide
Hydrogen peroxide is a simple oxidizing agent. Its environmental benignness and
effectiveness have led to a continuous increase in its use and production. Anthraquinone …
effectiveness have led to a continuous increase in its use and production. Anthraquinone …
First-principles study of the pressure and crystal-structure dependences of the superconducting transition temperature in compressed sulfur hydrides
We calculate the superconducting transition temperatures (T c) in sulfur hydrides H 2 S and
H 3 S from first principles using the density functional theory for superconductors. At …
H 3 S from first principles using the density functional theory for superconductors. At …
Electrocatalytic Hydrogen Evolution at Full Atomic Utilization over ITO-Supported Sub-nano-Ptn Clusters: High, Size-Dependent Activity Controlled by Fluxional Pt …
A combination of density functional theory (DFT) and experiments with atomically size-
selected Pt n clusters deposited on indium-tin oxide (ITO) electrodes was used to examine …
selected Pt n clusters deposited on indium-tin oxide (ITO) electrodes was used to examine …
Predicting crystal structures and properties of matter under extreme conditions via quantum mechanics: the pressure is on
E Zurek, W Grochala - Physical Chemistry Chemical Physics, 2015 - pubs.rsc.org
Experimental studies of compressed matter are now routinely conducted at pressures
exceeding 1 mln atm (100 GPa) and occasionally at pressures greater than 10 mln atm (1 …
exceeding 1 mln atm (100 GPa) and occasionally at pressures greater than 10 mln atm (1 …