Using this potential the structure and dynamics of water at Pt (111) interface is investigated. At 300K the adjacent to the metal surface water layer displays solid-like properties. The next two layers of water display ordering similar to ice-I. Beyond these three layers the structure and ...
At 300 K, the water layer adjacent to the surface displays solid-like properties. The adsorption sites for the water molecules are determined by the location of Pt atoms and the geometry of the surface. It is found that the Pt(111) surface induces a hexagonal pattern in the structure of ...
Structure and bonding mechanism of cyanide adsorbed on Pt(1 1 1) Ample F, Clotet A, Ricart JM. 2004. Structure and bonding mechanism of cyanide adsorbed on Pt(1 1 1). Surf. Sci. 558: 111-121... CJM Ricart - 《Surface Science》 被引量: 39发表: 2004年 Single-Chain Magnets: Theoret...
Bonding mechanism and atomic geometry of an ordered hydroxyl overlayer on Pt(111) Exposing water to a (2 x 2)-O precovered Pt(111) surface at 100 K and subsequently annealing at 155 K led to the formation of a well-ordered (square root 3 x square root 3)R30 degrees overlayer. The ...
L. Water at hydrophobic surfaces: weak hydrogen bonding and strong orientation effects. Science 292, 908–912 (2001). Article ADS CAS Google Scholar Lambert, D. K. Vibrational Stark effect of adsorbates at electrochemical interfaces. Electrochim. Acta 41, 623–630 (1996). Article CAS Google ...
es/RHNC calculation Structure of the Pt(111)/liquid interface: A first-principles/RHNC calculationStructure of the Pt(111)/liquid interface: A first-principles/RHNC calculationdoi:10.1016/S0013-4686(00)00570-3First-principles calculationReference hypernetted-chain theory...
For this purpose, the evolution of the shortand long‐range structure of cerium oxide ultrathin epitaxial films and nanostructures supported on Pt(111) is investigated using X‐ray absorption spectroscopy at the Ce L3 edge and surface X‐ray diffraction, during reduction by thermal treatments in ...
Structure, bonding, and growth at a metal–organic interface in the weak chemisorption regime: Perylene–Ag(111) Film growth at room temperature is similar to Stranski–Krastanov type. Finally, co-planar adsorption of perylene on Ag(111) is metastable, and annealing... M Eremtchenko,D Bauer,...
We investigate the Fe-Fe and Ni-Ni exchange interactions by increasing the interatomic distance of Fe and Ni dimers on Pt(111). We also discuss the dependence of these exchange couplings between the Fe and Ni atoms, when including Pt atoms, which are known to have high magnetic ...
An ab initio study of the equilibrium structure and bonding of FeC2 and FeC3 clusters and their anions An ab initio multiconfigurational CASSCF/CASPT2 approach has been used to calculate the electronic structure of the equilibrium conformations of the FeC 2,... MFA Hendrickx,S Clima - 《Chemi...