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Nature of Chemisorption on Titanium Carbide and Nitride
Carlo Ruberto, Aleksandra Vojvodic, Bengt I. Lundqvist
Extensive density-functional calculations are performed to understand atomic chemisorption on the TiC(111) and TiN(111) surfaces, in particular the calculated pyramid-shaped trends…
Trends in Atomic Adsorption on Titanium Carbide and Nitride
Aleksandra Vojvodic, Carlo Ruberto, Bengt I. Lundqvist
Extensive density-functional calculations on atomic chemisorption of H, B, C, N, O, F, Al, Si, P, S, and Cl on the polar TiC(111) and TiN(111) yield similar adsorption trends for t…
Nature of Adsorption on TiC(111)
Carlo Ruberto, Bengt I. Lundqvist
Extensive density-functional calculations are performed for chemisorption of atoms in the three first periods (H, B, C, N, O, F, Al, Si, P, S, and Cl) on the polar TiC(111) surface…