File Name : figure.s1.pdf

Caption : figure s1. representative trajectories for four pb nanoparticles uptake onto al2o3 surface in (a) pbo, (b) pbco3, (c) pbso4, (d) pbs and (e) pbcl2 nanoparticle systems.

File Name : figure.s2.pdf

Caption : figure s2. selected snapshots of the md trajectories for (a) pbcl2, (b) pbs nanoparticle systems. percentages are atoms in pb nanoparticles that direct (orange area) and indirect (blue area) coordinate with al2o3, respectively.

File Name : figure.s3.pdf

Caption : figure s3. the branching ratios of the interfacial patterns between pb nanoparticles with al2o3 in (a) pbcl2 and (b) pbs nanoparticle systems and (d) diagram for interfacial patterns of mdt and bdt. 

File Name : figure.s4.pdf

Caption : figure s4. atomic density profiles (adps) of pb nanoparticles as functions of distance from al2o3 surface for (a) pbo, (b) pbco3, (c) pbso4, (d) pbcl2 and pbs nanoparticle systems. the mean positions for the h atoms of bottom al2o3 surface are z ≈ 195 å.

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Caption : figure s5. potential energy surfaces of the mixing pathways in non-oxygenated pb nanoparticle systems, along with the optimized geometries. the numbers in ev denote the mixing energies, and other numbers represent bond length in å.

File Name : figure.s6a-f.pdf

Caption : figure s6. density of states (dos) for pb molecules before and after mixing with al2o3.

File Name : figure.s6g-j.pdf

Caption : figure s6. density of states (dos) for pb molecules before and after mixing with al2o3.

File Name : figure.s7a.pdf

Caption : figure s7. crystal orbital hamilton populations (cohp) plots of heterocomplexes in (a) pbo, (b) pbco3, (c) pbso4, (d) pbcl2 and (e) pbs nanoparticle systems.

File Name : figure.s7b.pdf

Caption : figure s7. crystal orbital hamilton populations (cohp) plots of heterocomplexes in (a) pbo, (b) pbco3, (c) pbso4, (d) pbcl2 and (e) pbs nanoparticle systems.

File Name : figure.s7c.pdf

Caption : figure s7. crystal orbital hamilton populations (cohp) plots of heterocomplexes in (a) pbo, (b) pbco3, (c) pbso4, (d) pbcl2 and (e) pbs nanoparticle systems.

File Name : figure.s7d.pdf

Caption : figure s7. crystal orbital hamilton populations (cohp) plots of heterocomplexes in (a) pbo, (b) pbco3, (c) pbso4, (d) pbcl2 and (e) pbs nanoparticle systems.

File Name : figure.s7e.pdf

Caption : figure s7. crystal orbital hamilton populations (cohp) plots of heterocomplexes in (a) pbo, (b) pbco3, (c) pbso4, (d) pbcl2 and (e) pbs nanoparticle systems.