Molecular main group metal hydrides
This review serves to document advances in the synthesis, versatile bonding, and reactivity
of molecular main group metal hydrides within Groups 1, 2, and 12–16. Particular attention …
of molecular main group metal hydrides within Groups 1, 2, and 12–16. Particular attention …
[HTML][HTML] A perspective on conventional high-temperature superconductors at high pressure: Methods and materials
Two hydrogen-rich materials, H 3 S and LaH 10, synthesized at megabar pressures, have
revolutionized the field of condensed matter physics providing the first glimpse to the …
revolutionized the field of condensed matter physics providing the first glimpse to the …
Potential high-Tc superconducting lanthanum and yttrium hydrides at high pressure
A systematic structure search in the La–H and Y–H systems under pressure reveals some
hydrogen-rich structures with intriguing electronic properties. For example, LaH10 is found …
hydrogen-rich structures with intriguing electronic properties. For example, LaH10 is found …
Materials discovery at high pressures
Pressure is a fundamental thermodynamic variable that can be used to control the properties
of materials, because it reduces interatomic distances and profoundly modifies electronic …
of materials, because it reduces interatomic distances and profoundly modifies electronic …
Second group of high-pressure high-temperature lanthanide polyhydride superconductors
Rare-earth polyhydrides formed under pressure are promising conventional
superconductors, with the critical temperature T c in compressed LaH 10 almost reaching …
superconductors, with the critical temperature T c in compressed LaH 10 almost reaching …
Potential high- superconductivity in under pressure
The high-pressure phases and superconductivity of CaYH 12 have been explored by using
a particle swarm optimization structure prediction methodology in combination with first …
a particle swarm optimization structure prediction methodology in combination with first …
High-throughput discovery of high-temperature conventional superconductors
AM Shipley, MJ Hutcheon, RJ Needs, CJ Pickard - Physical Review B, 2021 - APS
We survey the landscape of binary hydrides across the entire periodic table from 10 to 500
GPa using a crystal structure prediction method. Building a critical temperature (T c) model …
GPa using a crystal structure prediction method. Building a critical temperature (T c) model …
[HTML][HTML] Strong correlation between electronic bonding network and critical temperature in hydrogen-based superconductors
By analyzing structural and electronic properties of more than a hundred predicted hydrogen-
based superconductors, we determine that the capacity of creating an electronic bonding …
based superconductors, we determine that the capacity of creating an electronic bonding …
Hydrogen pentagraphenelike structure stabilized by hafnium: a high-temperature conventional superconductor
The recent discovery of H 3 S and LaH 10 superconductors with record high
superconducting transition temperatures T c at high pressure has fueled the search for room …
superconducting transition temperatures T c at high pressure has fueled the search for room …
Synthesis of FeH5: A layered structure with atomic hydrogen slabs
High pressure promotes the formation of polyhydrides with unusually high hydrogen-to-
metal ratios. These polyhydrides have complex hydrogenic sublattices. We synthesized iron …
metal ratios. These polyhydrides have complex hydrogenic sublattices. We synthesized iron …