4.4 Article

Stable nitrogen-rich yttrium nitrides under high pressure

Related references

Note: Only part of the references are listed.
Article Physics, Multidisciplinary

A novel square planar N42- ring with aromaticity in BeN4

Jiani Lin et al.

Summary: A structural search predicts the existence of a novel alkaline earth nitride, BeN4, with a square planar N-4(2-) ring. This compound exhibits a unique chemical bonding pattern and has potential as a high-energy-density material.

MATTER AND RADIATION AT EXTREMES (2022)

Article Chemistry, Physical

High-Pressure Computational Search of Trivalent Lanthanide Dinitrides

Francesca Menescardi et al.

Summary: Transition-metal nitrides, such as yttrium dinitride (YN2), have been the subject of much interest in the scientific community for their unique properties and structural transitions under pressure. The study focuses on the formation, stability, and bonding nature of YN2, revealing two structural transitions and the formation of N-4 chains. Analysis of the nitrogen bonding shows complex bond lengths and electronic structure variations that impact the oxidation state configuration of YN2.

JOURNAL OF PHYSICAL CHEMISTRY C (2021)

Article Chemistry, Inorganic & Nuclear

New Cadmium-Nitrogen Compounds at High Pressures

Shifeng Niu et al.

Summary: A systematic high-pressure study of the CdNx system (x = 2, 3, 4, 5, and 6) was conducted using the first-principles calculation method and particle swarm optimization algorithm, leading to the identification of four stable high-pressure phases and one metastable high-pressure phase. These phases exhibit high stability under ambient conditions and possess potential as high-energy materials with high energy density and explosive performance. The electronic structure analyses reveal strong covalent and ionic bond interactions in the predicted high-pressure structures, where charge transfer from the Cd atom significantly impacts the stability of the proposed structures.

INORGANIC CHEMISTRY (2021)

Article Physics, Multidisciplinary

New Members of High-Energy-Density Compounds: YN5 and YN8

Jun-Yi Miao et al.

Summary: Polymeric nitrogen is a promising candidate for high-energy-density materials, and the theoretical study on yttrium nitrides showed that nitrogen-rich YN5 and YN8 compounds can be formed under moderate pressures, serving as metastable high-energy materials that release enormous energies. This finding enriches the family of transition metal nitrides, providing opportunities for the design and synthesis of novel high-energy-density materials.

CHINESE PHYSICS LETTERS (2021)

Article Chemistry, Physical

High-Pressure Yttrium Nitride, Y5N14, Featuring Three Distinct Types of Nitrogen Dimers

Andrey Aslandukov et al.

Summary: Yttrium nitride Y5N14 was synthesized under high pressure conditions and found to have a unique crystal structure with distinct nitrogen dimers. The compound exhibits an anion-driven metallicity and unusually high compressibility for dinitrides with +3 cations.

JOURNAL OF PHYSICAL CHEMISTRY C (2021)

Article Chemistry, Physical

Stable nitrogen-rich scandium nitrides and their bonding features under ambient conditions

Jiani Lin et al.

Summary: This research presents a new stable phase C2/m-ScN5 and previously reported ScN3 in the Sc-N system, both of which exhibit high energy density and stability under ambient conditions. The chemical bonding analysis reveals that nitrogen atoms in the N-6(6-) chains are connected by covalent bonds.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2021)

Article Chemistry, Physical

Lithium Pentazolate Synthesized by Laser Heating-Compressed Lithium Azide and Nitrogen

Miao Zhou et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2020)

Article Chemistry, Physical

Direct Reaction between Copper and Nitrogen at High Pressures and Temperatures

Jack Binns et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2019)

Article Chemistry, Physical

High-Pressure Synthesized Lithium Pentazolate Compound Metastable under Ambient Conditions

D. Laniel et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2018)

Article Multidisciplinary Sciences

Fe-N system at high pressure reveals a compound featuring polymeric nitrogen chains

M. Bykov et al.

NATURE COMMUNICATIONS (2018)

Article Chemistry, Multidisciplinary

Structural phase transition and bonding properties of high-pressure polymeric CaN3

Pugeng Hou et al.

RSC ADVANCES (2018)

Article Physics, Multidisciplinary

Structural phase stability, elastic parameters and thermal properties of YN from first-principles calculation

A. Gueddim et al.

CHINESE JOURNAL OF PHYSICS (2018)

Article Chemistry, Physical

Simple Route to Metal cyclo-N-5(-) Salt: High-Pressure Synthesis of CuN5

Jianfu Li et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2018)

Article Chemistry, Multidisciplinary

Prediction of Thermodynamically Stable Compounds of the Sc-N System under High Pressure

Muhammad Aamir Aslam et al.

ACS OMEGA (2018)

Article Chemistry, Physical

High-Pressure Synthesis of a Pentazolate Salt

Brad A. Steele et al.

CHEMISTRY OF MATERIALS (2017)

Article Chemistry, Inorganic & Nuclear

Highly Coordinated Iron and Cobalt Nitrides Synthesized at High Pressures and High Temperatures

Ken Niwa et al.

INORGANIC CHEMISTRY (2017)

Article Chemistry, Physical

Novel rubidium poly-nitrogen materials at high pressure

Ashley S. Williams et al.

JOURNAL OF CHEMICAL PHYSICS (2017)

Article Chemistry, Physical

Alkaline-earth metal (Mg) polynitrides at high pressure as possible high-energy materials

Shuli Wei et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2017)

Article Chemistry, Physical

Novel Potassium Polynitrides at High Pressures

Brad A. Steele et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2017)

Article Chemistry, Inorganic & Nuclear

Stable Calcium Nitrides at Ambient and High Pressures

Shuangshuang Zhu et al.

INORGANIC CHEMISTRY (2016)

Article Chemistry, Physical

Transformation pathways in high-pressure solid nitrogen: From molecular N-2 to polymeric cg-N

Dusan Plasienka et al.

JOURNAL OF CHEMICAL PHYSICS (2015)

Article Chemistry, Physical

Crystalline LiN5 Predicted from First-Principles as a Possible High-Energy Material

Feng Peng et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2015)

Article Nanoscience & Nanotechnology

First principles phonon calculations in materials science

Atsushi Togo et al.

SCRIPTA MATERIALIA (2015)

Article Multidisciplinary Sciences

Exotic stable cesium polynitrides at high pressure

Feng Peng et al.

SCIENTIFIC REPORTS (2015)

Article Multidisciplinary Sciences

Pressure-induced planar N6 rings in potassium azide

Jie Zhang et al.

SCIENTIFIC REPORTS (2014)

Article Physics, Multidisciplinary

Pressure-induced polymerization of nitrogen in potassium azides

Jianfu Li et al.

Article Chemistry, Physical

Polymerization of nitrogen in lithium azide

Xiaoli Wang et al.

JOURNAL OF CHEMICAL PHYSICS (2013)

Article Physics, Multidisciplinary

Stable All-Nitrogen Metallic Salt at Terapascal Pressures

Jian Sun et al.

PHYSICAL REVIEW LETTERS (2013)

Article Physics, Condensed Matter

Structural and electronic properties of sodium azide at high pressure: A first principles study

Meiguang Zhang et al.

SOLID STATE COMMUNICATIONS (2013)

Article Computer Science, Interdisciplinary Applications

CALYPSO: A method for crystal structure prediction

Yanchao Wang et al.

COMPUTER PHYSICS COMMUNICATIONS (2012)

Article Physics, Multidisciplinary

Cagelike Diamondoid Nitrogen at High Pressures

Xiaoli Wang et al.

PHYSICAL REVIEW LETTERS (2012)

Article Physics, Multidisciplinary

Novel High Pressure Structures of Polymeric Nitrogen

Yanming Ma et al.

PHYSICAL REVIEW LETTERS (2009)

Article Physics, Multidisciplinary

High-Pressure Phases of Nitrogen

Chris J. Pickard et al.

PHYSICAL REVIEW LETTERS (2009)

Article Chemistry, Physical

High P-T transformations of nitrogen to 170 GPa

Eugene Gregoryanz et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

Article Physics, Multidisciplinary

Prediction of new phases of nitrogen at high pressure from first-principles simulations

WD Mattson et al.

PHYSICAL REVIEW LETTERS (2004)

Article Chemistry, Physical

Single-bonded cubic form of nitrogen

MI Eremets et al.

NATURE MATERIALS (2004)

Article Materials Science, Multidisciplinary

Density-functional study of nonmolecular phases of nitrogen: Metastable phase at low pressure

MMG Alemany et al.

PHYSICAL REVIEW B (2003)

Article Chemistry, Physical

High-pressure phases of solid nitrogen by Raman and infrared spectroscopy

R Bini et al.

JOURNAL OF CHEMICAL PHYSICS (2000)