This study explores the effects of atomic-level factors on the performance of CeO2 when interacting with SiO2 films. It specifically examines how different precursors, the ratio of Ce to OH, and reaction temperatures influence outcomes. Our findings reveal that smaller particles, around 5 nm in size, created using a Ce4+ precursor, are more effective at removing SiO2 films compared to larger, more crystalline particles from a Ce3+ precursor. This is due to their increased interaction with the SiO2 film during the polishing process, challenging the conventional emphasis on mechanical abrasion in chemical mechanical planarization (CMP) and highlighting the crucial role of chemical interactions. Further analysis through FT-IR and TGA-FTIR techniques showed distinct functional group profiles on the ceria surfaces. Ceria derived from Ce4+ exhibited a higher presence of OH and NO3 groups, enhancing adsorption capabilities, as verified by CHN analysis. Importantly, first-principles calculations identified these surface groups as key to improving adhesion to SiO2 films. Surfaces of amorphous CeO2, rich in -OH and -NO3 groups, showed significantly higher adhesion levels than their crystalline counterparts, connecting crystallinity to chemical functionality. This new insight leads to the possibility of designing next-generation CeO2 abrasives with increased chemical activity.
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