This PDF file includes:

• Text S1. Evaluation of the emission rates.
• Text S2. Hydrogen diffusion.
• Text S3. Effect of sliding velocity on the wear.
• Text S4. Wear amount as a function of sliding distance.
• Text S5. Mechanism of hydrocarbon emission.
• Text S6. Effect of rigid layer on the wear.
• Text S7. Optimization details of ReaxFF parameters.
• Fig. S1. Example of evaluating the evolution rate of fragment ion of CH₃⁺.
• Fig. S2. Friction simulation model of DLC asperities.
• Fig. S3. Molecular weight distribution of the emitted hydrocarbon molecules.
• Fig. S4. Mean squared displacement of hydrogen atoms along z direction.
• Fig. S5. Effect of sliding velocity on the wear.
• Fig. S6. Wear amount as a function of sliding distance.
• Fig. S7. Effect of rigid layer on the wear.
• Fig. S8. Friction simulation of DLC-A in the hydrogen gas environment.
• Fig. S9. Fitting results with the first-principle calculations.
• Table S1. Structural information for DLC samples.

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