Summary of the systems simulated, the equilibrated surface tension (nN m⁻¹) and the behaviour of the nanoparticle.

Ligand			Compressed (APL = 0.48 nm2)		Expanded (APL = 0.54 nm2)
Type	Chain density/chains per nm2	Chain length/sites	Surface tension/mN m−1	System behaviour	Surface tension/mN m−1	System behaviour
PEG-SH	1.56	2	17.1 ± 0.8	Enters water layer, PS starts to form a fold	27.4 ± 2.5	Enters water layer
	2.33	2	13.7 ± 1.8		29.5 ± 1.2
	3.11	2	11.9 ± 0.9		31.7 ± 2.0
	3.89	2	9.5 ± 1.1		32.8 ± 1.2
	2.33	1	16.8 ± 0.5	Enters water layer, PS starts to form a fold	27.7 ± 2.5	Enters water layer
	2.33	2	13.7 ± 1.8		29.5 ± 1.2
	2.33	3	17.1 ± 0.6		27.4 ± 1.0
	2.33	4	23.2 ± 2.2		25.9 ± 2.2
Alkanethiol	0.78	2	18.0 ± 0.2	Embeds in PS, fold starts to form	20.1 ± 0.9	Embeds in PS
	1.56	2	15.1 ± 0.3		18.8 ± 0.6
	2.33	2	14.4 ± 0.4		21.6 ± 0.6
	3.11	2	14.3 ± 0.1		27.1 ± 0.2
	1.56	2	15.1 ± 0.3	Embeds in PS, fold starts to form	19.0 ± 0.6	Embeds in PS
	1.56	3	14.5 ± 0.5		18.8 ± 0.6
	1.56	4	14.7 ± 0.6		24.2 ± 0.2
	1.56	5	14.6 ± 0.3		25.5 ± 0.9