Oxycarbide

A carbide oxide or oxycarbide is a mixed anion compound that contains oxide O2− and carbon containing anions. These compounds are distinct from carbonates, carbonites, or carbonyls, which have covalent bonds between carbon and oxygen.

Properties

Many oxycarbides can have a range of compositions with substitution of some carbon by oxygen, or vice-versa. For example with zirconium there are carbide oxides with formulas in the range ZrCxO2(1-x), varying from ZrC to ZrO2. But also there are others more zirconium rich with formulas ZrCxOy where x + y ≤ 1.[1]

Use

Oxycarbides are investigated for their catalytic activity.[2] They can catalyse formation of hydrocarbons from hydrogen and carbon monoxide,[3] or to form benzene and hydrogen from methane,[4] or to form hydrogen from organic substances.

They are also important in metallurgy, as an intermediate product when carbon is used to reduce metal oxides. When hot metallic carbides are exposed to oxygen they can also form oxycarbides. Because of their hardness and high melting point, they are difficult to analyse.[5]

Since rare earth oxycarbides are electrically conductive, they can be used as electrodes in the electrochemical production of metals.[6] Titanium oxycarbide has been investigated as a fuel cell electrode.[7]

Production

Oxycarbides may be produced by an incomplete reaction of a metal oxide with carbon.[8]Metal carbides can oxidise at high temperature with the addition of oxygen, yielding an oxycarbide, and carbon monoxide.[9]

Less common methods of production are electrochemical,[10] reduction by methane,[11] heating a metal organic framework,[12] or decomposing a metal carbonyl compound.[13]

Related compounds include oxycarbonitride.[14]

List

formula system space group unit cell Å volume density comment reference
BOC? B and O sub for C in graphene [15]
Al2OC [16]
Al4O4C orthorhombic Cmc21 melt 2213K [17]
silicon oxycarbide
ScO0.39C0.56 [18]
ScC0.30O0.70 a=4.536 [18]
ScC0.56O0.08 a=4.6707 [18]
Sc2OC cubic Fm3m a=4.561 94.88 water sensitive, forms CH4 [19]
TiOC [20]
TiC0.545O0.08 cubic Fd3m <990K [21]
TiC0.545O0.08 trigonal disordered phase > 990K [21]
TiO0.5C0.5 electric conductor [22]
Ti2⁢AlC1−𝑥⁢O𝑥 MAX phase [23]
VO(0.52-0.46)C(0.23-0.37) [24]
Cr2CO cubic [25]
Sr21Si2O6C6 cubic Fd3m a=1914.6 Z=8 7018 3.877 metallic brass [26]
Y2OC cubic a=4.9480 [27]
ZrC0.94O0.05 cubic a=4.695 [28]
ZrO0.31 C0.69 [29]
NbCxOy cubic a=4.469 [2]
Mo2COx nanosheet [30]
Mo0.9V2C1.9O1.5 cubic Fm3m [31]
MoCrCO? cubic Fm3m [31]
MoFeC0.49O0.58 hexagonal P63/mmc [31]
Mo0.9NiC0.46O0.14 [31]
Mo2.4Nb2C4.7O2.6 cubic Fm3m [31]
Gd13Fe10C12O [32]
Yb2OC cubic a=4.857 [27][33]
HfOxCy [34]
WO0.81C0.97 hexagonal like α-WC a=2.908 c=2.85 [35]
WFeCO? cubic Fd3m [31]
WVCO? cubic Fm3m [31]
WCoCO? cubic Fd3m [31]
WNbC1.3O cubic Fm3m [31]
WMoCO1.9 hexagonal P63/mmc [31]
UC0.4O0.6 electric conductor [36]
UCxO2-x [37]
UC1-xOx [37]
PuC0.5O0.3 film [38]

"?" in formula means ratio of elements unspecified.

References

  1. ↑ Kucheryavaya, Anastasia; Lenčéš, Zoltán; Šajgalík, Pavol; Harmuth, Harald (March 2023). "Zirconium oxycarbides and oxycarbonitrides: A review". International Journal of Applied Ceramic Technology. 20 (2): 541–562. doi:10.1111/ijac.14188.
  2. 1 2 Kim, H. S.; Sayag, C.; Bugli, G.; Djega-Mariadassou, G.; Boudart, M. (1994). "Preparation, Characterization and Catalytic Activity of Niobium Oxynitride and Oxycarbide in Hydrotreatment". MRS Proceedings. 368 3. doi:10.1557/PROC-368-3. ISSN 0272-9172.
  3. ↑ "Synthesis of New Catalytic Materials: Metal Carbides of the Group VI B Elements". Studies in Surface Science and Catalysis. Vol. 3. Elsevier. 1 January 1979. pp. 627–639. doi:10.1016/S0167-2991(09)60240-8. ISBN 978-0-444-41733-6.
  4. ↑ Aritani, Hirofumi; Shibasaki, Hiromi; Orihara, Hitoshi; Nakahira, Atsushi (January 2009). "Methane dehydroaromatization over Mo-modified H-MFI for gas to liquid catalysts". Journal of Environmental Sciences. 21 (6): 736–740. Bibcode:2009JEnvS..21..736A. doi:10.1016/S1001-0742(08)62333-5. PMID 19803075.
  5. ↑ Réjasse, F.; Rapaud, O.; Léchelle, J.; Trolliard, G.; Khodja, H.; Masson, O.; Martin, G.; Maître, A. (September 2018). "Novel insight into the chemical analysis of light elements in oxycarbides". Acta Materialia. 157: 11–20. Bibcode:2018AcMat.157...11R. doi:10.1016/j.actamat.2018.07.023.
  6. ↑ Withers, James C. (2018). "The Electrolytic Production of Rare Earths from Their Oxides". Rare Metal Technology 2018. The Minerals, Metals & Materials Series. Springer International Publishing. pp. 113–117. doi:10.1007/978-3-319-72350-1_10. ISBN 978-3-319-72350-1.
  7. ↑ Shakibi Nia, Niusha; Griesser, Christoph; Mairegger, Thomas; Wernig, Eva-Maria; Bernardi, Johannes; Portenkirchner, Engelbert; Penner, Simon; Kunze-Liebhäuser, Julia (5 January 2024). "Titanium Oxycarbide as Platinum-Free Electrocatalyst for Ethanol Oxidation". ACS Catalysis. 14 (1): 324–329. doi:10.1021/acscatal.3c04097. PMC 10775143. PMID 38205023.
  8. ↑ Gendre, Mathieu; Maître, Alexandre; Trolliard, Gilles (November 2011). "Synthesis of zirconium oxycarbide (ZrCxOy) powders: Influence of stoichiometry on densification kinetics during spark plasma sintering and on mechanical properties". Journal of the European Ceramic Society. 31 (13): 2377–2385. doi:10.1016/j.jeurceramsoc.2011.05.037.
  9. ↑ Kwon, Seunghwan; Rajkamal, Anand; An, Jongkyung; Yun, Gun Jin (May 2025). "Mechanisms of oxycarbide formation on ZrC, HfC, and TaC surfaces during early oxidation: Insights from computational simulations". Ceramics International. 51 (11): 14755–14766. doi:10.1016/j.ceramint.2025.01.317.
  10. ↑ Zhang, Linlin; Wang, Shubo; Jiao, Shuqiang; Huang, Kai; Zhu, Hongmin (July 2012). "Electrochemical synthesis of titanium oxycarbide in a CaCl2 based molten salt". Electrochimica Acta. 75: 357–359. doi:10.1016/j.electacta.2012.05.013.
  11. ↑ Dang, Jie; Fatollahi-Fard, Farzin; Pistorius, Petrus Christiaan; Chou, Kuo-Chih (February 2018). "Synthesis of Titanium Oxycarbide from Titanium Slag by Methane-Containing Gas". Metallurgical and Materials Transactions B. 49 (1): 123–131. Bibcode:2018MMTB...49..123D. doi:10.1007/s11663-017-1123-5.
  12. ↑ David, Jérémy; Trolliard, Gilles; Volkringer, Christophe; Loiseau, Thierry; Maître, Alexandre (2015). "Synthesis of zirconium oxycarbide powders using metal–organic framework (MOF) compounds as precursors". RSC Advances. 5 (64): 51650–51661. Bibcode:2015RSCAd...551650D. doi:10.1039/C5RA01172H.
  13. ↑ L. Leclercq, K. Imura, S. Yoshida, T. Barbee, M. Boudart (1979). "Synthesis of New Catalytic Materials: Metal Carbides of the Group VI B Elements". Studies in Surface Science and Catalysis. 3: 627–639. Bibcode:1979SSSC....3..627L. doi:10.1016/S0167-2991(09)60240-8. ISBN 978-0-444-41733-6.{{cite journal}}: CS1 maint: multiple names: authors list (link) CS1 maint: periodical has ISBN (link)
  14. ↑ Michałowski, Paweł Piotr (2024). "Unraveling the composition of each atomic layer in the MXene/MAX phase structure – identification of oxycarbide, oxynitride, and oxycarbonitride subfamilies of MXenes". Nanoscale Horizons. 9 (9): 1493–1497. Bibcode:2024NanoH...9.1493M. doi:10.1039/D4NH00151F. PMID 39072410.
  15. ↑ Kesavan, Dhanasekar; Krishnamoorthy, Karthikeyan; Sathyaseelan, Arunprasath; Ul Haq Liyakath Ali, Noor; Kim, Sang-Jae (October 2022). "Boron-oxy-carbide sheets: A wide voltage symmetric supercapacitor electrode with high temperature tolerance". Chemical Engineering Journal. 446 136983. Bibcode:2022ChEnJ.44636983K. doi:10.1016/j.cej.2022.136983.
  16. ↑ Nakashima, Yuki; Shirai, Takashi; Takai, Chika; Fuji, Masayoshi (2016). "Synthesis of aluminum oxycarbide (Al2OC) by selective microwave heating". Journal of the Ceramic Society of Japan. 124 (1): 122–124. doi:10.2109/jcersj2.15200. ISSN 1348-6535.
  17. ↑ Yokokawa, Harumi; Fujishige, Masao; Ujiie, Seiichi; Dokiya, Masayuki (June 1987). "Phase relations associated with the aluminum blast furnace: Aluminum oxycarbide melts and Al-C-X (X=Fe, Si) liquid alloys". Metallurgical Transactions B. 18 (2): 433–444. Bibcode:1987MTB....18..433Y. doi:10.1007/BF02656164. ISSN 0360-2141.
  18. 1 2 3 Juarez-Arellano, Erick A.; Winkler, Björn; Bayarjargal, Lkhamsuren; Friedrich, Alexandra; Milman, Victor; Kammler, Daniel R.; Clark, Simon M.; Yan, Jinyuan; Koch-Müller, Monika; Schröder, Florian; Avalos-Borja, Miguel (May 2010). "Formation of scandium carbides and scandium oxycarbide from the elements at high-(P, T) conditions". Journal of Solid State Chemistry. 183 (5): 975–983. Bibcode:2010JSSCh.183..975J. doi:10.1016/j.jssc.2010.02.019.
  19. ↑ Hájek, Bohumil; Karen, Pavel; Brožek, Vlastimil (April 1984). "Studies of hydrolysable carbides XXI: Preparation and properties of discandium oxycarbide Sc2OC". Journal of the Less Common Metals. 98 (2): 245–252. doi:10.1016/0022-5088(84)90297-2.
  20. ↑ Shakibi Nia, Niusha; Griesser, Christoph; Mairegger, Thomas; Wernig, Eva-Maria; Bernardi, Johannes; Portenkirchner, Engelbert; Penner, Simon; Kunze-Liebhäuser, Julia (2024-01-05). "Titanium Oxycarbide as Platinum-Free Electrocatalyst for Ethanol Oxidation". ACS Catalysis. 14 (1): 324–329. doi:10.1021/acscatal.3c04097. ISSN 2155-5435. PMC 10775143. PMID 38205023.
  21. 1 2 Tashmetov, M. Yu.; Em, V. T.; Savenko, B. N.; Batdemberel, G. (January 2003). "Phase transformations in titanium oxycarbide TiC0.545O0.08". Crystallography Reports. 48 (1): 106–111. doi:10.1134/1.1541751. ISSN 1063-7745.
  22. ↑ Miller, David N.; Azad, Abdul K.; Delpouve, Heloise; Quazuguel, Lucille; Zhou, Jun; Sinha, Amit; Wormald, Philip; Irvine, John T. S. (2016). "Studies on the crystal structure, magnetic and conductivity properties of titanium oxycarbide solid solution (TiO 1−x C x )". Journal of Materials Chemistry A. 4 (15): 5730–5736. doi:10.1039/C6TA00042H. ISSN 2050-7488.
  23. ↑ Persson, P. O. å.; Rosén, J.; McKenzie, D. R.; Bilek, M. M. M. (2009-09-15). "Formation of the M A X -phase oxycarbide Ti 2 AlC 1 − x O x studied via electron energy-loss spectroscopy and first-principles calculations". Physical Review B. 80 (9) 092102. doi:10.1103/PhysRevB.80.092102. ISSN 1098-0121.
  24. ↑ Bose, D. K.; Gupta, C. K. (September 1977). "An evaluation of vanadium oxycarbide as ladle addition to molten steels". Metallurgical Transactions B. 8 (3): 601–604. Bibcode:1977MTB.....8..601B. doi:10.1007/BF02658628. ISSN 0360-2141.
  25. ↑ Kado, Tetsuo; Noda, Yukio (1989-08-01). "Characteristics of Chromium Oxycarbide Thin Film Prepared by Plasma-Assisted CVD Method". Journal of the Electrochemical Society. 136 (8): 2184–2187. Bibcode:1989JElS..136.2184K. doi:10.1149/1.2097247. ISSN 0013-4651.
  26. ↑ Knoth, Markus; Rößler, Ute; Eisenmann, Brigitte (May 2005). "Zur Stabilisierung von Suboxidphasen durch Carbidionen: Die Kristallstruktur von Sr21Si2O5C6". Zeitschrift für anorganische und allgemeine Chemie. 631 (6–7): 1237–1240. Bibcode:2005ZAACh.631.1237K. doi:10.1002/zaac.200500023.
  27. 1 2 Holcombe, C. E.; Carpenter, D. A. (May 1981). "Identification of a New Yttrium Oxycarbide, Y 2 OC". Journal of the American Ceramic Society. 64 (5). doi:10.1111/j.1151-2916.1981.tb09592.x. ISSN 0002-7820.
  28. ↑ Gendre, M.; Maître, A.; Trolliard, G. (April 2010). "A study of the densification mechanisms during spark plasma sintering of zirconium (oxy-)carbide powders". Acta Materialia. 58 (7): 2598–2609. Bibcode:2010AcMat..58.2598G. doi:10.1016/j.actamat.2009.12.046.
  29. ↑ Shakibi Nia, Niusha; Hauser, Daniel; Schlicker, Lukas; Gili, Albert; Doran, Andrew; Gurlo, Aleksander; Penner, Simon; Kunze-Liebhäuser, Julia (2019-11-19). "Zirconium Oxycarbide: A Highly Stable Catalyst Material for Electrochemical Energy Conversion". ChemPhysChem. 20 (22): 3067–3073. doi:10.1002/cphc.201900539. ISSN 1439-4235. PMC 6900196. PMID 31247128.
  30. ↑ Kurlov, Alexey; Deeva, Evgeniya B.; Abdala, Paula M.; Lebedev, Dmitry; Tsoukalou, Athanasia; Comas-Vives, Aleix; Fedorov, Alexey; Müller, Christoph R. (2020-10-02). "Exploiting two-dimensional morphology of molybdenum oxycarbide to enable efficient catalytic dry reforming of methane". Nature Communications. 11 (1) 4920. Bibcode:2020NatCo..11.4920K. doi:10.1038/s41467-020-18721-0. ISSN 2041-1723. PMC 7532431. PMID 33009379.
  31. 1 2 3 4 5 6 7 8 9 10 Oyama, S.Ted; Charles Yu, C.; Ramanathan, S. (June 1999). "Transition Metal Bimetallic Oxycarbides: Synthesis, Characterization, and Activity Studies". Journal of Catalysis. 184 (2): 535–549. doi:10.1006/jcat.1999.2464.
  32. ↑ Hadler, Amelia B.; Yannello, Vincent J.; Bi, Wenli; Alp, E. Ercan; Fredrickson, Daniel C. (2014-08-27). "π-Conjugation in Gd 13 Fe 10 C 13 and Its Oxycarbide: Unexpected Connections between Complex Carbides and Simple Organic Molecules". Journal of the American Chemical Society. 136 (34): 12073–12084. Bibcode:2014JAChS.13612073H. doi:10.1021/ja505868w. ISSN 0002-7863. PMID 25093267.
  33. ↑ Haschke, John M.; Eick, Harry A. (April 1970). "Preparation and vaporization thermodynamics of diytterbium monoxide monocarbide. Existence of ytterbium monoxide". Inorganic Chemistry. 9 (4): 851–854. doi:10.1021/ic50086a033. ISSN 0020-1669.
  34. ↑ George, Mekha Raichie (2008-07-25). "Studies of ultra high temperature ceramic composite components: synthesis and characterization of HfOxCy and Si oxidation in atomic oxygen containing environments". {{cite journal}}: Cite journal requires |journal= (help)
  35. ↑ Gao, Zi; Qin, Dai-Yi (May 1990). "Catalyt properties of tungsten oxycarbide and carbide in hydrocarbon conversion". Chinese Journal of Chemistry. 8 (3): 207–214. doi:10.1002/cjoc.19900080304. ISSN 1001-604X.
  36. ↑ Yang, Zhiqiang; Yang, Mingshuai; Shen, Zhenfang; Song, Wenchen; Li, Bin (2023-08-21). "Preparation and Electrochemical Dissolution of a Soluble Uranium Oxycarbide Anode". Inorganic Chemistry. 62 (33): 13512–13518. doi:10.1021/acs.inorgchem.3c01917. ISSN 0020-1669. PMID 37540815.
  37. 1 2 Cheik Njifon, I.; Torres, E. (October 2021). "Atomistic investigation of uranium oxycarbide (UCO) phase stability at finite temperatures: DFT+ U and AIMD+ U approaches". Journal of Nuclear Materials. 554 153046. Bibcode:2021JNuM..55453046C. doi:10.1016/j.jnucmat.2021.153046.
  38. ↑ Roussel, Paul (2024-01-01). "Photoemission study of plutonium oxycarbide". Journal of Vacuum Science & Technology A. 42 (1) 013204. Bibcode:2024JVSTA..42a3204R. doi:10.1116/6.0003238. ISSN 0734-2101.
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