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 …
Computational predictions of energy materials using density functional theory
In the search for new functional materials, quantum mechanics is an exciting starting point.
The fundamental laws that govern the behaviour of electrons have the possibility, at the …
The fundamental laws that govern the behaviour of electrons have the possibility, at the …
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 …
Formation of ammonia–helium compounds at high pressure
Uranus and Neptune are generally assumed to have helium only in their gaseous
atmospheres. Here, we report the possibility of helium being fixed in the upper mantles of …
atmospheres. Here, we report the possibility of helium being fixed in the upper mantles of …
Metallization of shock-compressed liquid ammonia
Ammonia is predicted to be one of the major components in the depths of the ice giant
planets Uranus and Neptune. Their dynamics, evolution, and interior structure are …
planets Uranus and Neptune. Their dynamics, evolution, and interior structure are …
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 …
Observation of a plastic crystal in water–ammonia mixtures under high pressure and temperature
H Zhang, F Datchi, L Andriambariarijaona… - The Journal of …, 2023 - ACS Publications
Solid mixtures of ammonia and water, the so-called ammonia hydrates, are thought to be
major components of solar and extra-solar icy planets. We present here a thorough …
major components of solar and extra-solar icy planets. We present here a thorough …
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 …
Pressure-induced chemistry in a nitrogen-hydrogen host–guest structure
DK Spaulding, G Weck, P Loubeyre, F Datchi… - Nature …, 2014 - nature.com
New topochemistry in simple molecular systems can be explored at high pressure. Here we
examine the binary nitrogen/hydrogen system using Raman spectroscopy, synchrotron X …
examine the binary nitrogen/hydrogen system using Raman spectroscopy, synchrotron X …
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 …