Origin of extraordinary stability of square planar carbon in surface carbides of Cobalt and Nickel
- Author
- A Nandula, Q Thang Trinh, Mark Saeys (UGent) and AN Alexandrova
- Organization
- Abstract
- Surface carbides of cobalt and nickel are exceptionally stable, having stabilities competitive with those of graphitic C on these surfaces. The unusual structure of these carbides has attracted much attention: C assumes a tetracoordinate squareplanar arrangement, in-plane with the metal surface, and its binding favors a spontaneous p4g clock surface reconstruction. A chemical bonding model for these systems is presented and explains the unusual structure, special stability, and the reconstruction. C promotes local two-dimensional aromaticity on the surface and the aromatic arrangement is so powerful that the required number of electrons is taken from the voidM4 squares, thus leading to Peierls instability. Moreover, this model predicts a series of new transition-metal and maingroup- element surface alloys: carbides, borides, and nitrides, which feature high stability, square-planar coordination, aromaticity, and a predictable degree of surface reconstruction.
- Keywords
- FISCHER-TROPSCH SYNTHESIS, INITIO MOLECULAR-DYNAMICS, TOTAL-ENERGY CALCULATIONS, WAVE BASIS-SET, TETRACOORDINATE CARBON, CATALYSTS, AROMATICITY, METALS, BORON, RECONSTRUCTION, alloys, aromaticity, bond energy, cobalt, density functional calculations
Downloads
-
(...).pdf
- full text
- |
- UGent only
- |
- |
- 13.20 MB
Citation
Please use this url to cite or link to this publication: http://hdl.handle.net/1854/LU-6970352
- MLA
- Nandula, A., et al. “Origin of Extraordinary Stability of Square Planar Carbon in Surface Carbides of Cobalt and Nickel.” ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, vol. 54, no. 18, 2015, pp. 5312–16, doi:10.1002/anie.201501049.
- APA
- Nandula, A., Thang Trinh, Q., Saeys, M., & Alexandrova, A. (2015). Origin of extraordinary stability of square planar carbon in surface carbides of Cobalt and Nickel. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 54(18), 5312–5316. https://doi.org/10.1002/anie.201501049
- Chicago author-date
- Nandula, A, Q Thang Trinh, Mark Saeys, and AN Alexandrova. 2015. “Origin of Extraordinary Stability of Square Planar Carbon in Surface Carbides of Cobalt and Nickel.” ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 54 (18): 5312–16. https://doi.org/10.1002/anie.201501049.
- Chicago author-date (all authors)
- Nandula, A, Q Thang Trinh, Mark Saeys, and AN Alexandrova. 2015. “Origin of Extraordinary Stability of Square Planar Carbon in Surface Carbides of Cobalt and Nickel.” ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 54 (18): 5312–5316. doi:10.1002/anie.201501049.
- Vancouver
- 1.Nandula A, Thang Trinh Q, Saeys M, Alexandrova A. Origin of extraordinary stability of square planar carbon in surface carbides of Cobalt and Nickel. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION. 2015;54(18):5312–6.
- IEEE
- [1]A. Nandula, Q. Thang Trinh, M. Saeys, and A. Alexandrova, “Origin of extraordinary stability of square planar carbon in surface carbides of Cobalt and Nickel,” ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, vol. 54, no. 18, pp. 5312–5316, 2015.
@article{6970352, abstract = {{Surface carbides of cobalt and nickel are exceptionally stable, having stabilities competitive with those of graphitic C on these surfaces. The unusual structure of these carbides has attracted much attention: C assumes a tetracoordinate squareplanar arrangement, in-plane with the metal surface, and its binding favors a spontaneous p4g clock surface reconstruction. A chemical bonding model for these systems is presented and explains the unusual structure, special stability, and the reconstruction. C promotes local two-dimensional aromaticity on the surface and the aromatic arrangement is so powerful that the required number of electrons is taken from the voidM4 squares, thus leading to Peierls instability. Moreover, this model predicts a series of new transition-metal and maingroup- element surface alloys: carbides, borides, and nitrides, which feature high stability, square-planar coordination, aromaticity, and a predictable degree of surface reconstruction.}}, author = {{Nandula, A and Thang Trinh, Q and Saeys, Mark and Alexandrova, AN}}, issn = {{1433-7851}}, journal = {{ANGEWANDTE CHEMIE-INTERNATIONAL EDITION}}, keywords = {{FISCHER-TROPSCH SYNTHESIS,INITIO MOLECULAR-DYNAMICS,TOTAL-ENERGY CALCULATIONS,WAVE BASIS-SET,TETRACOORDINATE CARBON,CATALYSTS,AROMATICITY,METALS,BORON,RECONSTRUCTION,alloys,aromaticity,bond energy,cobalt,density functional calculations}}, language = {{eng}}, number = {{18}}, pages = {{5312--5316}}, title = {{Origin of extraordinary stability of square planar carbon in surface carbides of Cobalt and Nickel}}, url = {{http://doi.org/10.1002/anie.201501049}}, volume = {{54}}, year = {{2015}}, }
- Altmetric
- View in Altmetric
- Web of Science
- Times cited: