. 2018 Jun 20;123(13):7682–7695. doi: 10.1021/acs.jpcc.8b04921

Table 5. Electronic (E_g) and HOMO–LUMO (Δ_HOMO–LUMO) Band Gaps in eV for One Full Monolayer of Dopamine Molecules Adsorbed on the Anatase (101) TiO₂ Surface in the up_NH₂(RR) and down_NH₃⁺ Configurations, as Calculated by HSE06-D2.

	E_g (eV)	Δ_HOMO–LUMO (eV)
up_allNH₂	4.16	2.20
down_NH₃⁺	4.32	2.66

Table 5. Electronic (Eg) and HOMO–LUMO (ΔHOMO–LUMO) Band Gaps in eV for One Full Monolayer of Dopamine Molecules Adsorbed on the Anatase (101) TiO2 Surface in the up_NH2(RR) and down_NH3+ Configurations, as Calculated by HSE06-D2.