skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Dense Carbon Monoxide to 160 GPa: Stepwise Polymerization to Two-Dimensional Layered Solid

Journal Article · · Journal of Physical Chemistry. C
 [1];  [1];  [1];  [2];  [3];  [1]
  1. Washington State Univ., Pullman, WA (United States)
  2. Washington State Univ., Pullman, WA (United States); Harvard Univ., Cambridge, MA (United States)
  3. National Research Council Canada, Ottawa, ON (Canada)
+ Show Author Affiliations

Carbon monoxide (CO) is the first molecular system found to transform into a nonmolecular “polymeric” solid above 5.5 GPa, yet been studied beyond 10 GPa. Here, we show a series of pressure-induced phase transformations in CO to 160 GPa: from a molecular solid to a highly colored, low-density polymeric phase I to translucent, high-density phase II to transparent, layered phase III. The properties of these phases are consistent with those expected from recently predicted 1D P21/m, 3D I212121, and 2D Cmcm structures, respectively. Furthermore, the present results advocate a stepwise polymerization of CO triple bonds to ultimately a 2D singly bonded layer structure with an enhanced ionic character.

Research Organization:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE National Nuclear Security Administration (NNSA); National Science Foundation (NSF); Defense Advanced Research Projects Agency (DARPA); Defense Threat Reduction Agency (DTRA)
Grant/Contract Number:
W31P4Q-12-1-0009; HR0011-14-C-0035; 1203834; HDTRA1-12-01-0020
OSTI ID:
1338991
Journal Information:
Journal of Physical Chemistry. C, Vol. 120, Issue 48; ISSN 1932-7447
Publisher:
American Chemical SocietyCopyright Statement
Country of Publication:
United States
Language:
ENGLISH
Citation Metrics:
Cited by: 16 works
Citation information provided by
Web of Science

References (15)

The Revealing Role of Pressure in the Condensed Matter Sciences journal August 1998
Physical Chemistry at Ultrahigh Pressures and Temperatures journal October 1989
Single-bonded cubic form of nitrogen journal July 2004
Quartzlike Carbon Dioxide: An Optically Nonlinear Extended Solid at High Pressures and Temperatures journal March 1999
Superconductivity in highly disordered dense carbon disulfide journal July 2013
Two- and three-dimensional extended solids and metallization of compressed XeF2 journal July 2010
New phases and chemical reactions in solid carbon monoxide under pressure journal July 1984
High-energy-density extended CO solid journal February 2005
Pressure-Induced Polymerization of Carbon Monoxide:  Disproportionation and Synthesis of an Energetic Lactonic Polymer journal May 2006
Pressure calibration of diamond anvil Raman gauge to 310GPa journal August 2006
Transparent Large Anvil Press for In-situ Raman and Laser Heating journal July 2012
Efficient pseudopotentials for plane-wave calculations journal January 1991
Second-Harmonic Optical Response from First Principles journal January 2004
Structures and phase diagrams of N 2 and CO to 13 GPa by x‐ray diffraction journal March 1986
Infrared and Raman studies on high pressure phases of solid N2: An intermediate structural modification between ε and δ phases journal April 1998

Cited By (3)

Kinetic effects on the morphology and stability of the pressure-induced extended-solid of carbon monoxide journal April 2018
Two-dimensional carbon dioxide with high stability, a negative Poisson's ratio and a huge band gap journal January 2018
New states of matter and chemistry at extreme pressures: Low-Z extended solid journal October 2017

Similar Records

Hydrogen-Doped Polymeric Carbon Monoxide at High Pressure
Journal Article · Thu Apr 20 00:00:00 EDT 2017 · Journal of Physical Chemistry. C · OSTI ID:1338991
+4 more
Pressure-induced phase and chemical transformations of lithium peroxide (Li2O2 )
Journal Article · Wed Aug 24 00:00:00 EDT 2016 · Journal of Chemical Physics · OSTI ID:1338991
Shear-Induced Isostructural Phase Transition and Metallization of Layered Tungsten Disulfide under Nonhydrostatic Compression
Journal Article · Tue Feb 16 00:00:00 EST 2016 · Journal of Physical Chemistry. C · OSTI ID:1338991

Related Subjects

36 MATERIALS SCIENCE
chemical structure
band structure
oxides
inorganic carbon compounds
phase transitions