Topic
Chemisorption
About: Chemisorption is a research topic. Over the lifetime, 16298 publications have been published within this topic receiving 554989 citations.
Papers published on a yearly basis
Papers
More filters
TL;DR: In this paper, the adsorption of carbon dioxide has been studied on a single-crystalline Cr 2 O 3 (0001) film as well as on samples of polycrystallized α -Cr 2 O3.
138 citations
TL;DR: In this paper, the authors investigated the dissociation of H2 on the (100) surface of Ni using a cluster model, and they showed that dissociation at the bridge site, treated without the Ni 3d interaction, leads to a barrier of about 30 kcal/mol.
Abstract: The dissociation of H2 on the (100) surface of Ni is investigated using a cluster model. The mechanism for dissociation of H2 directly above a Ni atom has little to no barrier and involves the Ni 3d electrons; elimination of the Ni 3d interaction with the H2 increases the barrier to more than 50 kcal/mol. The dissociation at the bridge site, treated without the Ni 3d interaction, leads to a barrier of about 30 kcal/mol, leading to the conclusion that the dissociation of H2 at any site on a Ni(100) surface requires strong 3d participation. The results are quantitatively different if the Ni 4p orbitals are not included. The effects of cluster size on the results are also discussed.
138 citations
TL;DR: In this paper, the authors investigated the interaction of CO 2 with regular and defect sites of the MgO(100) surface by means of ab initio cluster model SCF and correlated calculations.
138 citations
TL;DR: In this paper, the authors examined the capture of carbon dioxide from flue gas by adsorption on solid sorbents using an equilibrium model for a packed bed temperature swing adaption (TSA) process.
138 citations
TL;DR: In this paper, the adsorption and subsequent dissociation of O2 on Pt(111) were studied by variable temperature scanning tunneling microscopy in the temperature range of 40 to 215 K.
Abstract: The adsorption and subsequent dissociation of O2 on Pt(111) was studied by variable temperature scanning tunneling microscopy in the temperature range of 40 to 215 K. Tight clustering of bridge site molecules is observed on terraces between 40 and 70 K, indicating a highly mobile precursor to chemisorption. Coexistence of bridge and fcc hollow site molecules in fractal-shaped islands is observed after dosing between 70 and 95 K. Dissociation of these species was induced by uv radiation, inelastic tunneling electrons, and heating. In all three cases, two O atoms are found within two lattice constants of the original molecule and one to three lattice constants apart.
138 citations