Table 7. Three Adsorption Models for Complexes in Neutral and Ionic States.

	standard	training data set
system	DSDPBEP86	M062X-D3	PBE0-D3
Neutral state
AlN–K	–0.39961	–0.67777	–0.93497
AlN–Li	–0.8404	–1.03613	–1.21044
AlN–Na	–0.46492	–0.54208	–0.74962
AlP–K	–1.00507	–1.52328	–1.48469
AlP–Li	–0.88859	–1.43521	–1.48299
AlP–Na	–0.82754	–1.3231	–1.31056
Ionic state
AlN–K+	–6.6269	–6.94874	–6.27496
AlN–Li+	–7.10554	–7.41305	–6.77519
AlN–Na+	–6.61395	–6.95205	–6.30024
AlP–K+	–6.29694	–6.62134	–5.94421
AlP–Li+	–6.28454	–6.6723	–6.13828
AlP–Na+	–6.25032	–6.47093	–5.794