Chadwick Helen, Alexandrowicz Gil
Department of Chemistry, Faculty of Science and Engineering, Swansea University, Swansea SA2 8PP, U.K.
J Phys Chem C Nanomater Interfaces. 2024 Dec 2;128(49):20913-20922. doi: 10.1021/acs.jpcc.4c06913. eCollection 2024 Dec 12.
The rotational orientation dependence of H scattering into different diffraction channels on a Cu(511) surface is studied using a magnetic manipulation interferometry technique. For some channels, markedly different signals are measured, whereas for others, they are more similar. The data are analyzed to obtain scattering matrices, which quantify how the amplitude and phase of the wave function change during the gas-surface collision and are extremely sensitive to the underlying potential. Fits to simulated data with noise at levels comparable to those obtained in the experimental data are also presented, which provide an estimate of the error on the scattering matrix parameters that are obtained, with the uncertainties in the values tending to be lower for the higher order diffraction peaks. The results presented here provide extremely stringent benchmarks for the development of accurate theoretical models, with the number of different channels studied reducing the likelihood of an inaccurate model fortuitously reproducing all the data.
利用磁操控干涉测量技术研究了H在Cu(511)表面散射到不同衍射通道时的旋转取向依赖性。对于某些通道，测量到的信号明显不同，而对于其他通道，信号则更为相似。对数据进行分析以获得散射矩阵，该矩阵量化了波函数在气体-表面碰撞过程中振幅和相位的变化，并且对潜在势极其敏感。还给出了对具有与实验数据相当水平噪声的模拟数据的拟合，这提供了对所获得的散射矩阵参数误差的估计，对于高阶衍射峰，值的不确定性往往更低。本文给出的结果为精确理论模型的开发提供了极其严格的基准，所研究的不同通道数量减少了不准确模型偶然再现所有数据的可能性。
