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CO adsorption on the Ge(100) surface has been investigated using a slab model with density functional theory implemented in SIESTA. CO was found to be exclusively adsorbed on the asymmetric dimer with C attaching on the lower Ge dimer atom. The adsorption process is barrierless. The calculated adsorption energy and vibration frequencies are comparable to previous experimental results. The crystal...
The interfacial interaction between the ZnO film and the polyimide substrate was investigated by XPS and density functional theory (DFT) calculation, for the ZnO thin films deposited on polyimide (PI) substrates using cathodic vacuum arc deposition technique. The XPS results showed that a shoulder peak was present for the ZnO film with the thickness of about 15 nm, used for depth profiling, at the...
A study of the adsorption kinetics of 1-octanethiol and 1,8-octanedithiol has been carried out on gold electrode by cyclic voltammetry with different concentrations. Analysis of the kinetic data show that the adsorption kinetics of 1-octanethiol and 1,8-octanedithiol can be satisfactorily described by Diffusion controlled Langmuir(DCL) model, irrespective of concentration. The rate constants of 1-octanethiol...
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