Adsorption Mechanism of Typical Gases Exhaled by Lung Cancer Patients on the Anatase TiO₂ (101) Surface

Table 1

Adsorbing parameters of the three adsorbed systems.

Systems	Adsorption energy (Ead) (eV)	Charge transfer (q) (e)	Adsorption distance (D) (Å)
C6H6	−0.5641	0.054	2.686
C8H8	−0.6949	0.142	2.418
C5H8	−0.6056	0.114	2.573