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

Stability of Sulfur Nitrides: A First-Principles Study

(2017) Da Li et al.   Journal of Physical Chemistry C

Stable Calcium Nitrides at Ambient and High Pressures

(2016) Shuangshuang Zhu et al.   INORGANIC CHEMISTRY

Backbone NxH compounds at high pressures

(2015) Alexander F. Goncharov et al.   JOURNAL OF CHEMICAL PHYSICS

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

(2015) Feng Peng et al.   Journal of Physical Chemistry Letters

High-Energy Density and Superhard Nitrogen-Rich B-N Compounds

(2015) Yinwei Li et al.   PHYSICAL REVIEW LETTERS

The phase diagram and hardness of carbon nitrides

(2015) Huafeng Dong et al.   Scientific Reports

N2H: a novel polymeric hydronitrogen as a high energy density material

(2015) Ketao Yin et al.   Journal of Materials Chemistry A

Polymerization of nitrogen in cesium azide under modest pressure

(2014) Xiaoli Wang et al.   JOURNAL OF CHEMICAL PHYSICS

Pressure-induced planar N6 rings in potassium azide

(2014) Jie Zhang et al.   Scientific Reports

Novel superconducting skutterudite-type phosphorus nitride at high pressure from first-principles calculations

(2014) Zamaan Raza et al.   Scientific Reports

Novel high-pressure phase with pseudo-benzene “N6” molecule of LiN3

(2013) Meiguang Zhang et al.   EPL

Pressure-induced polymerization of nitrogen in potassium azides

(2013) Jianfu Li et al.   EPL

Pressure-induced series of phase transitions in sodium azide

(2013) Hongyang Zhu et al.   JOURNAL OF APPLIED PHYSICS

Polymerization of nitrogen in lithium azide

(2013) Xiaoli Wang et al.   JOURNAL OF CHEMICAL PHYSICS

Evolving Structural Diversity and Metallicity in Compressed Lithium Azide

(2013) Dasari L. V. K. Prasad et al.   Journal of Physical Chemistry C

Calculations predict a stable molecular crystal of N8

(2013) Barak Hirshberg et al.   Nature Chemistry

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

(2013) Meiguang Zhang et al.   SOLID STATE COMMUNICATIONS

CALYPSO: A method for crystal structure prediction

(2012) Yanchao Wang et al.   COMPUTER PHYSICS COMMUNICATIONS

Large Volume Collapse during Pressure-Induced Phase Transition in Lithium Amide

(2012) Xiaoli Huang et al.   Journal of Physical Chemistry C

High Pressure Potassium Polyhydrides: A Chemical Perspective

(2012) James Hooper et al.   Journal of Physical Chemistry C

Cagelike Diamondoid Nitrogen at High Pressures

(2012) Xiaoli Wang et al.   PHYSICAL REVIEW LETTERS

Phase transition and structure of silver azide at high pressure

(2011) Dongbin Hou et al.   JOURNAL OF APPLIED PHYSICS

High-Pressure Study of Lithium Azide from Density-Functional Calculations

(2011) K. Ramesh Babu et al.   JOURNAL OF PHYSICAL CHEMISTRY A

High pressure X-ray diffraction study of potassium azide

(2011) Cheng Ji et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

Series of phase transitions in cesium azide under high pressure studied byin situx-ray diffraction

(2011) Dongbin Hou et al.   PHYSICAL REVIEW B

Crystal structure prediction via particle-swarm optimization

(2010) Yanchao Wang et al.   PHYSICAL REVIEW B

Novel High Pressure Structures of Polymeric Nitrogen

(2009) Yanming Ma et al.   PHYSICAL REVIEW LETTERS

High-Pressure Phases of Nitrogen

(2009) Chris J. Pickard et al.   PHYSICAL REVIEW LETTERS

Screened hybrid density functionals for solid-state chemistry and physics

(2008) Benjamin G. Janesko et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Metastable high-pressure single-bonded phases of nitrogen predicted via genetic algorithm

(2008) Yansun Yao et al.   PHYSICAL REVIEW B