Quantum dynamical and isotopic effects for hydrogen isotope scattering at W(110) surface

We investigate the scattering of hydrogen isotopes at the W(110) surface using both classical and quantum dynamics approaches to elucidate the role of quantum effects in this system. To characterize the scattering process, we focus on key observables, including the absorption probability and diffraction channels that we evaluate at the quasi-classical and quantum levels. The quantum dynamical simulations reveal pronounced resonance structures in the absorption curve that we rationalize in terms of diffraction-mediated selective adsorption and focused sticking mechanisms. Diffraction probabilities for reflected trajectories exhibit strong quantum effects at low incident energies, where classical dynamics underestimate the backscattering probability. These effects become less pronounced with increasing isotope mass, from hydrogen to tritium, but discrepancies between the classical and quantum descriptions persist at low incident energies.