Insight into Perovskite Solar Cell Formation for Various Organohalides Perovskite Precursors in the Presence of Water at the Molecular Level

Table 2

Interaction energies for the various organohalides perovskite precursors in the water.

	System name	Pb and Cl	Pb and organic precursor	Pb and water	Organic precursor and Cl	Organic precursor and water	Cl and water
1	Reference	−160.45	–	–	–	–	–
2	Iso-BA^+	−219.68	15.09	–	−58.18	–	–
3		−404.64	2.19	−1,951.36	−63.40	−254.04	−734.61
4	PEA^+	−111.57	7.16	–	−63.77	–	–
5		−507.32	2.15	−1,799.12	−69.14	−267.21	−629.03
6	EDBE^2+	−303.1	17.53	–	−114.41	–	–
7		−616.04	7.28	−1,520.38	−158.52	−423.67	−840.53
8	GA^+	−219.27	−12.55	–	−51.03	–	–
9		−485.36	−44.60	−1,800.82	−97.94	−483.51	−554.94

Unit: kJ/mol.