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. 2025 Aug 13;15(35):28703–28720. doi: 10.1039/d5ra04844c

Table 2. Calculated adsorption energy (Eads), adsorption distance (AD), and recovery times for gas–adsorbent systems.

Structure E ads (eV) AD (Å) (before) AD (Å) (after) Recovery times (s)
HF + BP −0.276 2.924 2.224 5.7 × 10−11
H2S + BP −0.133 3.273 3.191 2.3 × 10−13
HF + Al-BP −1.651 3.433 1.692 6.7 × 1012
H2S + Al-BP −0.828 3.467 2.422 1.1 × 10−1
HF + Ti-BP −0.502 2.415 2.315 3.5 × 10−7
H2S + Ti-BP −0.584 2.896 2.727 8.5 × 10−6