Table 6. Calculated bandgap (E_g), Fermi energy (E_F), work function (Φ), and electrical conductivity (σ) for adsorbent and gas–adsorbent complexes.

Structure	E g (eV)	E F (eV)	Φ (eV)	ΔΦ (eV)	σ (A × Ω−1 m−1)
					300 K	400 K	500 K
BP	0.877	−1.845	1.8452	—	4.28 × 10−8	2.98 × 10−6	3.78 × 10−5
HF + BP	0.879	−1.719	1.7194	0.126	4.11 × 10−8	2.89 × 10−6	3.7 × 10−5
H2S + BP	0.866	−1.750	1.7509	0.094	5.34 × 10−8	3.50 × 10−6	4.32 × 10−5
Al-BP	0.783	−1.802	1.8022	—	2.66 × 10−7	1.17 × 10−5	1.13 × 10−4
HF + Al-BP	1.007	−1.576	1.5761	0.226	3.46 × 10−9	4.53 × 10−7	8.43 × 10−6
H2S + Al-BP	0.991	−1.402	1.4023	0.399	4.72 × 10−9	5.79 × 10−7	1.01 × 10−5
Ti-BP	0.000	−1.743	1.7437	—	—	—	—
HF + Ti-BP	0.000	−1.643	1.6434	0.100	—	—	—
H2S + Ti-BP	0.000	−1.579	1.5793	0.164	—	—	—