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| Content Provider | PubMed Central |
|---|---|
| Author | Li, Dongxu Oganov, Artem R. Dong, Xiao Zhou, Xiang-feng Zhu, Qiang Qian, Guangrui Dong, Huafeng |
| Copyright Year | 2015 |
| Abstract | Nitrogen oxides are textbook class of molecular compounds, with extensive industrial applications. Nitrogen and oxygen are also among the most abundant elements in the universe. We explore the N-O system at 0 K and up to 500 GPa though ab initio evolutionary simulations. Results show that two phase transformations of stable molecular NO2 occur at 7 and 64 GPa, and followed by decomposition of NO2 at 91 GPa. All of the NO+NO3 − structures are found to be metastable at T = 0 K, so experimentally reported ionic NO+NO3 − is either metastable or stabilized by temperature. N2O5 becomes stable at 9 GPa, and transforms from P-1 to C2/c structure at 51 GPa. NO becomes thermodynamically stable at 198 GPa. This polymeric phase is superconducting (T c = 2.0 K) and contains a -N-N- backbone. |
| Related Links | http://dx.doi.org/10.1038/srep16311 |
| Starting Page | 16311 |
| File Format | |
| ISSN | 20452322 |
| e-ISSN | 20452322 |
| Journal | Scientific Reports |
| Volume Number | 5 |
| Language | English |
| Publisher | Nature Publishing Group |
| Publisher Date | 2015-11-01 |
| Access Restriction | Open |
| Rights Holder | Nature Publishing Group |
| Subject Keyword | Science and technology Research in Higher Education |
| Content Type | Text |
| Resource Type | Article |
| Subject | Multidisciplinary |
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