Reactive and nonreactive scattering of H2 from a metal surface is electronically adiabatic

The Born-Oppenheimer approximation of uncoupled electronic and nuclear motion is a standard tool of the computational chemist. However, its validity for molecule-metal surface reactions, which are important to heterogeneous catalysis, has been questioned because of the possibility of electron-hole pair excitations. We have performed experiments and calculations on the scattering of molecular hydrogen from a catalytically relevant metal surface, obtaining absolute probabilities for changes in the molecule's velocity parallel to the representative Pt(111) surface. The comparison for in-plane and out-of-plane scattering and results for dissociative chemisorption in the same system show that for hydrogen-metal systems, reaction and diffractive scattering can be accurately described using the Born-Oppenheimer approximation.     

Hand-feel soil texture observations to evaluate the accuracy of digital soil maps for local prediction of soil particle size distribution: A case study in Central France

Digital maps of soil properties are now widely available. End-users now can access several digital soil mapping (DSM) products of soil properties, produced using different models, calibration/training data, and covariates at various spatial scales from global to local. Therefore, there is an urgent need to provide easy-to-understand tools to communicate map uncertainty and help end-users assess the reliability of DSM products for use at local scales. In this study, we used a large amount of hand-feel soil texture (HFST) data to assess the performance of various published DSM products on the prediction of soil particle size distribution in Central France. We tested four DSM products for soil texture prediction developed at various scales (global, continental, national, and regional) by comparing their predictions with approximately 3 200 HFST observations realized on a 1:50 000 soil survey conducted after release of these DSM products. We used both visual comparisons and quantitative indicators to match the DSM predictions and HFST observations. The comparison between the low-cost HFST observations and DSM predictions clearly showed the applicability of various DSM products, with the prediction accuracy increasing from global to regional predictions. This simple evaluation can determine which products can be used at the local scale and if more accurate DSM products are required.