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Title: Exploring the Chemical Reactivity between Carbon Dioxide and Three Transition Metals (Au, Pt, and Re) at High-Pressure, High-Temperature Conditions

Journal Article · · Inorganic Chemistry
 [1];  [2];  [2];  [2];  [3];  [3];  [3];  [4];  [4];  [5];  [5]
  1. Univ. of California, Los Angeles, CA (United States); Univ. de Valencia, Valencia (Spain)
  2. Univ. of California, Los Angeles, CA (United States)
  3. Univ. de Valencia, Valencia (Spain)
  4. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  5. Univ. de La Laguna, Tenerife (Spain)
+ Show Author Affiliations

In this study, the role of carbon dioxide, CO2, as oxidizing agent at high pressures and temperatures is evaluated by studying its chemical reactivity with three transition metals: Au, Pt, and Re. We report systematic X-ray diffraction measurements up to 48 GPa and 2400 K using synchrotron radiation and laser-heating diamond-anvil cells. No evidence of reaction was found in Au and Pt samples in this pressure–temperature range. In the Re + CO2 system, however, a strongly–driven redox reaction occurs at P > 8 GPa and T > 1500 K, and orthorhombic β-ReO2 is formed. This rhenium oxide phase is stable at least up to 48 GPa and 2400 K and was recovered at ambient conditions. Raman spectroscopy data confirm graphite as a reaction product. Ab-initio total-energy structural and compressibility data of the β-ReO2 phase shows an excellent agreement with experiments, altogether accurately confirming CO2 reduction P–T conditions in the presence of rhenium metal and the β-ReO2 equation of state.

Research Organization:
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1377541
Journal Information:
Inorganic Chemistry, Vol. 55, Issue 20; ISSN 0020-1669
Publisher:
American Chemical Society (ACS)
Country of Publication:
United States
Language:
English

References (36)

The bonding, structure and reactions of CO2 adsorbed on clean and promoted metal surfaces journal April 1991
New Transformations of CO 2 at High Pressures and Temperatures journal July 2001
Equations of state of six metals above 94 GPa journal September 2004
Projector augmented-wave method journal December 1994
Thermodynamic properties of the spin-1/2 ferromagnetic Heisenberg chain with long-range interactions journal May 2008
Static strength and equation of state of rhenium at ultra-high pressures journal February 1991
Evidence for spontaneous CO2 activation on cobalt surfaces journal March 2008
Ingassing, Storage, and Outgassing of Terrestrial Carbon through Geologic Time journal January 2013
Why gold is the noblest of all the metals journal July 1995
Pressure study of monoclinic ReO2up to 1.2 GPa using X-ray absorption spectroscopy and X-ray diffraction journal November 2008
High-pressure behavior of TiO 2 as determined by experiment and theory journal April 2009
Spontaneous Activation of CO 2 and Possible Corrosion Pathways on the Low-Index Iron Surface Fe(100) journal February 2009
Advanced flat top laser heating system for high pressure research at GSECARS: application to the melting behavior of germanium journal September 2008
Correspondence: Strongly-driven Re+CO2 redox reaction at high-pressure and high-temperature journal November 2016
Studies on Rhenium Oxides. journal January 1957
Stability of CaCl 2 -type and α-PbO 2 -type SiO 2 at high pressure and temperature determined by in-situ X-ray measurements : STABILITY OF CaCl journal March 2003
Recent advances in magnetic structure determination by neutron powder diffraction journal October 1993
Thermodynamic data from redox reactions at high temperatures. IV. Calibration of the Re-ReO2 oxygen buffer from EMF and NiO+Ni-Pd redox sensor measurements journal January 1994
Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study journal January 1998
Inhomogeneous Electron Gas journal November 1964
CO 2 Reduction on Transition Metal (Fe, Co, Ni, and Cu) Surfaces: In Comparison with Homogeneous Catalysis journal February 2012
Structure and electronic properties of new rutile-like rhenium (IV) dioxide ReO2 journal December 2005
Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces journal April 2008
Catalytic oxidation of CO on Pt(111): The influence of surface defects and composition on the reaction dynamics journal March 1984
New high-pressure phase of HfTiO4 and ZrTiO4 ceramics journal November 2010
CO 2 Reforming of CH 4 journal February 1999
DIOPTAS : a program for reduction of two-dimensional X-ray diffraction data and data exploration journal May 2015
Discovery of hardest known oxide journal October 1996
Ab initiomolecular dynamics for liquid metals journal January 1993
Crystal chemistry of metal dioxides with rutile-related structures journal April 1969
Fluid-melt partitioning of sulfur in differentiated arc magmas and the sulfur yield of explosive volcanic eruptions journal March 2016
Kinetic studies of CO2dissociation on supported Ni catalysts journal December 2005
Calibration of the ruby pressure gauge to 800 kbar under quasi-hydrostatic conditions journal January 1986
Density functional calculations of the enthalpies of formation of rare-earth orthophosphates journal May 2012
A theoretical study of CO2 adsorption on TiO2 journal November 1996
Formation of the high pressure graphite and BC 8 phases in a cold compression experiment by Raman scattering : Formation of the high pressure graphite and BC journal September 2013

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