A general strategy for computing the vibrational frequencies of adsorbates on surfaces is presented. Rather than use numerical fits to the surface energy, we advocate diagonalizing a mass weighted energy second-derivative matrix. The computation of energy derivatives has several advantages: It facil
Heats of adsorption and vibrational frequencies for xenon adsorbed on graphite
β Scribed by J. Piper; J.A. Morrison
- Publisher
- Elsevier Science
- Year
- 1984
- Tongue
- English
- Weight
- 430 KB
- Volume
- 103
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
β¦ Synopsis
lsosteric and integral heats of adsorption of lenon on Crafod have been derermmed calorImetncaUy at 195 5 ii and at surface coverages of up to 1 1 The limitmg heat of adsorptlon for (he homogeneous surface at zero coverage IS estimated to be 17.3 f 0 2 kJ mol-'. Frequencies of vrbration of an adsorbed xenon atom are deduced from the entropy of the adsorbed layer and from information dewed from other experunents Volume 103, number 4 CHEMlCAL PHYSICS LETI-ERS 6 Janus 1984 the Natural Sciences and Engineering Research Council (Canada).
π SIMILAR VOLUMES
The tunneling frequencies of CD4 and CHDX in monolayer films adsorbed on the surface of graphite and the surface of MgO( 100) have been computed. Large splittings between groups of tunneling states are computed for CHD, when it is adsorbed on these surfaces.