Theoretical and electrochemical analysis on inhibition effect of benzotriazole and 1,2,4-triazole on cobalt surface

The synthesis of polyaspartic acid derivative PASP-Im and investigation of its scale inhibition performance and mechanism in industrial circulating water

“…Non-local hybrid density functional B3LYP with the basis set 6-31 G of the Gaussian 09 program was adopted to conduct the complete optimization of the PASP-Im molecule. 20,21 The inhibition behavior of the PASP-Im additive was studied by a computational analysis based on the density functional theory (DFT). 22 3.…”

Surface corrosion inhibition effect and action mechanism analysis of 5-methyl-benzotriazole on cobalt-based copper film chemical mechanical polishing for GLSI

“…The χ value of 4.206 eV indicates that TTA can combine with the vacant orbitals provided by the Cu atoms to form a stable coordination bond. Generally speaking, the lower the global hardness value, the smaller the energy gap and the higher the suppression efficiency [23,40].It can be seen that TTA has a stronger inhibitory capacity from a global hardness value of 1.324 eV.…”

“…In order to further reveal the inhibitory mechanism of TTA from its molecular structure, the structure of TTA was analyzed by quantum chemical calculations of MS. Calculated parameters include the lowest unoccupied molecular orbital (ELUMO), the highest occupied molecular orbital (EHOMO), the two frontier orbitals energy gap (ΔE), ionization potential (I), electron affinity (A), electronegativity (χ) and global hardness (η) [23]. Table 3 shows the calculation results.…”

Developing an Efficient Forward Design Method for Co Post-CMP Cleaning Formulations Based on Nanoparticle Removal Mechanisms

“…The inhibitor is used to suppress wafer corrosion. The surfactant is used to improve the hydrophilicity of the surface, thereby facilitating the removal of particles. − For instance, Alety et al discovered that a cleaning solution composed of 6.6 mM glycine and 15 mM 1,2,4-triazole was able to minimize the galvanic corrosion potential between the Cu and Co couple, while a large number of particles still remained on Co films. Moreover, it should be noted that azole derivatives can easily cause undesirable organic residues to form that can be left on wafer surfaces via chemisorption and are hard to remove.…”