Structure and stability of carbon nitride under high pressure and high temperature up to 125 GPa and 3000 K

Yohei Kojima, Hiroaki Ohfuji

Research output: Contribution to journalArticlepeer-review

30 Citations (Scopus)

Abstract

The crystal structure of carbon nitride under high pressure and temperature was investigated up to megabar pressures using graphitic C3N 4 as a starting material. It transformed to an orthorhombic phase above 30 GPa and 1600 K, which has a similar unit cell parameters (a = 7.6251(19), b = 4.4904(8), and c = 4.0424(8) Å at 1 atm) to those of reported hydrogen-bearing carbon nitride phases such as C2N 2(NH) and C2N2(CH2). Although the C:N ratio of this orthorhombic phase was carefully determined to be 3:4, FT-IR analysis showed a strong possibility of hydrogen contamination both in the starting and recovered samples. These results suggest that in the studied wide pressure and temperature range, hydrogen-bearing carbon nitride favors the orthorhombic structure with a fundamental composition of C2N 2X where NH, CH2, and even potentially vacancies can be flexibly accommodated in the X site.

Original languageEnglish
Pages (from-to)1-7
Number of pages7
JournalDiamond and Related Materials
Volume39
DOIs
Publication statusPublished - 2013

Keywords

  • Carbon nitride
  • Diamond anvil cell
  • High-pressure and high-temperature
  • In-situ X-ray diffraction
  • Microstructure

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