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 …
High-pressure synthesized lithium pentazolate compound metastable under ambient conditions
D Laniel, G Weck, G Gaiffe, G Garbarino… - The Journal of …, 2018 - ACS Publications
Polynitrogen compounds have been actively pursued driven by their potential as ultra-high-
performing propellants or explosives. Despite remarkable breakthroughs over the past two …
performing propellants or explosives. Despite remarkable breakthroughs over the past two …
High‐Pressure Synthesis of a Nitrogen‐Rich Inclusion Compound ReN8⋅x N2 with Conjugated Polymeric Nitrogen Chains
A nitrogen‐rich compound, ReN8⋅ x N2, was synthesized by a direct reaction between
rhenium and nitrogen at high pressure and high temperature in a laser‐heated diamond …
rhenium and nitrogen at high pressure and high temperature in a laser‐heated diamond …
Materials informatics based on evolutionary algorithms: Application to search for superconducting hydrogen compounds
T Ishikawa, T Miyake, K Shimizu - Physical Review B, 2019 - APS
We present a materials informatics approach to search for superconducting hydrogen
compounds, which is based on a genetic algorithm and a genetic programing. This method …
compounds, which is based on a genetic algorithm and a genetic programing. This method …
High Pressure and High Temperature Synthesis of the Iron Pernitride FeN2
The high pressure chemistry of transition metals and nitrogen was recently discovered to be
richer than previously thought, due to the synthesis of several transition metal pernitrides …
richer than previously thought, due to the synthesis of several transition metal pernitrides …
Pentazole and ammonium pentazolate: Crystalline hydro-nitrogens at high pressure
BA Steele, II Oleynik - The Journal of Physical Chemistry A, 2017 - ACS Publications
Two new crystalline compounds, pentazole (N5H) and ammonium pentazolate (NH4)(N5),
both featuring cyclo-N5–are discovered using a first-principles evolutionary search of the …
both featuring cyclo-N5–are discovered using a first-principles evolutionary search of the …
Hydride units filled boron–carbon clathrate: a pathway for high-temperature superconductivity at ambient pressure
Recent advances in the search for room-temperature superconductors have focused on high-
temperature superconductivity in compressed hydrides, though sustaining this at ambient …
temperature superconductivity in compressed hydrides, though sustaining this at ambient …
Stabilization of ammonia-rich hydrate inside icy planets
V Naden Robinson, Y Wang, Y Ma… - Proceedings of the …, 2017 - National Acad Sciences
The interior structure of the giant ice planets Uranus and Neptune, but also of newly
discovered exoplanets, is loosely constrained, because limited observational data can be …
discovered exoplanets, is loosely constrained, because limited observational data can be …
Chemical reaction mechanisms of solid state ammonia and hydrogen under high pressure
J Miao, S He, K He, K Ding, W Dai, C Lu - Physical Review Materials, 2024 - APS
Ammonia is the most stable compound of nitrogen and hydrogen at ambient pressure.
However, the chemical reaction of nitrogen and hydrogen is more complex and difficult to …
However, the chemical reaction of nitrogen and hydrogen is more complex and difficult to …
Stability and superionicity of and at extreme conditions
Stable compounds comprising nitrogen, sulfur, and hydrogen elements hold significant
promise in hydride superconductors and astrophysical matter. Herein, we utilize a blend of …
promise in hydride superconductors and astrophysical matter. Herein, we utilize a blend of …