High-pressure atomic phases of solid nitrogen

Lewis, Steven P.; Cohen, Marvin L.

doi:10.1103/physrevb.46.11117

Cited by 47 publications

(41 citation statements)

References 18 publications

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“…The early attempts [7][8] to describe singly-bonded polymeric structures of nitrogen focused on the simple cubic, black phosphorus (BP) and A7 (α-arsenic) structures, based on the known structures in group VA. Significant progress was made in 1992 by Mailhiot et al [9] who predicted the cubic gauche (cg) structure.…”

mentioning

confidence: 99%

Cagelike Diamondoid Nitrogen at High Pressures

et al. 2012

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mentioning

confidence: 99%

Cagelike Diamondoid Nitrogen at High Pressures

et al. 2012

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“…This contrasts with other proposed polynitrogenated phases of nitrogen that have been inspired by the analogy to phosphorus and arsenic, all superior in energy to the "cubic gauche" (CG). These have been proposed for extreme conditions and some experimental evidence has even been found for them [56][57][58][59][60][61]. Therefore, confinement represents an alternative for the stabilization of polynitrogenated species that are not necessarily related to high temperatures and pressure.…”

Section: Polynitrogenated Materialsmentioning

confidence: 99%

Reactivity Indexes and Structure of Fullerenes

Jiménez¹,

Tenorio²,

AlejandroHernández-Velázquez³

et al. 2018

Fullerenes and Relative Materials - Properties and Applications

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The discovery of fullerenes and their production in measurable quantities launched many studies about their reactivity and possible applications. Their peculiar structure opened possibilities for their study, initially replacing carbon atoms with alternative atoms. The surface also offers the possibility of attaching several species and the interior of their hollow structure represents a challenge because of the possibility of confining elements or molecules that may become less stable when attached to the exterior of the cage. These modifications may considerably affect both chemical and physical properties. In this chapter, we propose the encapsulation of 3-10 nitrogen atoms as aggregates inside the C 70 cage. We also study the structures and reactivity indexes and the stabilization conferred as a result of being part of the fullerene. These aggregates are mainly of interest because of their possible application as energetic materials.

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“…These include a monatomic simple-cubic phase [206][207][208], a semimetallic arsenic structure A7 [206], a metallic, simple-tetragonal phase [206,209], and the cubic gauche (CG) structure [205,207,[210][211][212][213], for which recent experimental evidence has been given [203]. Results from theoretical calculations also predict other polymeric forms of nitrogen, as will be described hereafter.…”

Section: Novel High Pressure Phases Of Nitrogenmentioning

confidence: 92%

Section: Novel High Pressure Phases Of Nitrogenmentioning

confidence: 99%

“…Early theoretical work, therefore, focused on establishing the simple chain, layered, and bulk structures known from other Group V elements, including A7 [206], and black phosphorus (BP) [207]. Early calculations of the various forms of nonmolecular nitrogen predicted that the layered A7 and BP structures are lower in energy than the chain and bulk structures [206]. Later calculations predicted that the transition from molecular nitrogen would progress directly to the bulk CG structure, which is unique to nitrogen, bypassing formation of layered and chain structures [207,[210][211][212][213].…”

Section: Novel High Pressure Phases Of Nitrogenmentioning

confidence: 99%

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