Add to ORKGThe properties of ammonium azide NH4N3 upon compression were investigated using first-principles density functional theory. The equation of state was calculated and the mechanism of a phase transition experimentally observed at 3.3 GPa is elucidated. Novel polymorphs of NH4N3 were found using a simple structure search algorithm employing random atomic displacements upon static compression. The structures of three new polymorphs, labelled as B, C, and D, are similar to those of other metal azides
The polymorphism of the highly energetic crystal TKX-50 is investigated as a function of hydrostatic...
Two new crystalline compounds, pentazole (N5H) and ammonium pentazolate (NH4)(N5), both featuring cy...
The high-pressure behaviour of ammonium metal formates has been investigated using high-pressure sin...
The properties of ammonium azide NH4N3 upon compression were investigated using first-principles den...
*S Supporting Information ABSTRACT: Efforts to synthesize, characterize, and recover novel polynitro...
International audienceDue to its potential applications as a high-energy density material, the high-...
Efforts to synthesize, characterize, and recover novel polynitrogen energetic materials have driven ...
High pressure experiments utilizing Raman spectroscopy indicate that the a phase of sodium azide und...
The phase transition and structural evolution of KN3 are systematically studied using first-principl...
International audienceThe compression of ammonium azide (AA) has been considered to be a promising r...
The chemical transformation of ammonium cyanate into urea has been of interest to many generations o...
The structural and electronic properties of NaN3 at high pressures were studied through ab initio ca...
A combined experimental and theoretical study of hydrogen-rich ammonium borohydride (NH4BH4) subject...
The phase diagram and equation of state of dense nitrogen are of interest in understanding the funda...
A comparison with the alkali halides suggests that all the ammonium halides should occur in the NaCl...
The polymorphism of the highly energetic crystal TKX-50 is investigated as a function of hydrostatic...
Two new crystalline compounds, pentazole (N5H) and ammonium pentazolate (NH4)(N5), both featuring cy...
The high-pressure behaviour of ammonium metal formates has been investigated using high-pressure sin...
The properties of ammonium azide NH4N3 upon compression were investigated using first-principles den...
*S Supporting Information ABSTRACT: Efforts to synthesize, characterize, and recover novel polynitro...
International audienceDue to its potential applications as a high-energy density material, the high-...
Efforts to synthesize, characterize, and recover novel polynitrogen energetic materials have driven ...
High pressure experiments utilizing Raman spectroscopy indicate that the a phase of sodium azide und...
The phase transition and structural evolution of KN3 are systematically studied using first-principl...
International audienceThe compression of ammonium azide (AA) has been considered to be a promising r...
The chemical transformation of ammonium cyanate into urea has been of interest to many generations o...
The structural and electronic properties of NaN3 at high pressures were studied through ab initio ca...
A combined experimental and theoretical study of hydrogen-rich ammonium borohydride (NH4BH4) subject...
The phase diagram and equation of state of dense nitrogen are of interest in understanding the funda...
A comparison with the alkali halides suggests that all the ammonium halides should occur in the NaCl...
The polymorphism of the highly energetic crystal TKX-50 is investigated as a function of hydrostatic...
Two new crystalline compounds, pentazole (N5H) and ammonium pentazolate (NH4)(N5), both featuring cy...
The high-pressure behaviour of ammonium metal formates has been investigated using high-pressure sin...