<p>Understanding the adsorption behavior of hydrogen on catalyst surfaces is critical to a comprehensive analysis of the kinetics of the hydrogen evolution reaction (HER). While strain engineering to enhance single hydrogen adsorption on catalysts is well-established, the mechanisms governing multiple hydrogen adsorption under strain remain unclear. In this study, we systematically investigate different adsorption structures of multi-coverage hydrogen on the Pt(111) catalyst’s surface by first-principles calculations. We propose two dimensions, “<i>k</i>_<i>e</i>” and “<i>k</i>_<i>ε</i>”, to quantitatively describe the relationship between adsorption energy and d-band center with stress under different coverage levels. The results indicate that the above two values undergo dynamic changes under different coverage levels, proving that there are differences in the effect of stress under different H coverage conditions. Especially under high coverage, stress has a significant enhancement effect on H adsorption. Although the enhancement effect slightly decreases when hydrogen molecules are produced, there is still a significant overall enhancement, effectively suppressing the weakening of the original Pt-H adsorption caused by high coverage. We conducted theoretical verification from the perspectives of changes in adsorption energy and d-band center using these two dimensions, confirming that stress can effectively alter the d-band structure of Pt, optimize its interaction with adsorbed hydrogen, and provide a theoretical basis for further improving the HER performance of Pt catalysts under high current density by applying external stress.</p>