Ultra-high precision determination of site energy differences using a Bayesian method

Article

关键词: CO;    ADSORPTION;    SCATTERING;    PT(111);    MOTION;   

DOI  :  10.1103/PhysRevB.89.121405

来源: SCIE

【 摘 要 】

Accurate experimental data of adsorbate potential energy landscapes are crucial as benchmarks for the evaluation of first-principles calculations. Here, we present a Bayesian method, analyzing the difference in forward and backward hopping rate in helium spin-echo measurements, that allows us to determine the binding-energy difference between two sites with unprecedented accuracy. Demonstrating the power of the method on the model system cyclopentadienyl/Cu(111), we find an energy difference between fcc and hcp hollow sites of (10.6 +/- 1.7) meV.

【 授权许可】

Free