Abstract
Density functional theory (DFT) periodic calculations and molecular beam techniques were used to study the interaction of CO with the Ru(0001)(1X1)H surface. The system consisted of a three-stage differentially pumped molecular beam line attached to an ultrahigh vaccum (UHV) chamber equipped with a low energy electron diffraction (LEED) system, an ion sputter gun, and a residual gas analyzer. The hydrogen phase was found to induce an activation barrier for CO absorption with a minimum barrier height of 25 kJ mol
Original language | English |
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Pages (from-to) | 5244-5251 |
Journal | Journal of Chemical Physics |
Volume | 115 |
DOIs | |
Publication status | Published - 2001 |