Scientific Reports

Table 3 Relaxed surface and attachment energy of Aragonite

From: Nanoscale analysis of the morphology and surface stability of calcium carbonate polymorphs

	Surface energy (J.m⁻²)			Attachment energy (eV)
Surface	Raiteri's forcefield	Xiao's forcefield	Other results^a	Raiteri's forcefield	Xiao's forcefield	Other results^a
(010) Ca	1.14	0.80	0.96	−4.62	−3.20	−10.91
(010) CO₃	1.57	1.10	1.50	−11.96	−10.48	−32.68
(100)	1.71	1.23	1.50	−15.95	−10.75	−39.58
(001) Ca	1.59	1.36	1.05	−12.73	−9.58	−35.41
(001) CO₃	1.01	0.78	0.85	−5.35	−3.92	−12.46
(110) Ca	1.03	0.73	0.88	−8.61	−6.10	−10.50
(110) CO₃	1.30	0.92	1.04	−28.14	4.37	−31.45
(101) Ca	1.19	0.90	0.99	−10.54	−6.18	−15.11
(101) CO₃	1.31	1.00	1.08	−14.52	−12.03	−16.14
(011) CO₃	0.90	0.84	0.69	−5.97	−9.08	−6.38
(011) CO₃	1.09	1.33	1.16	−14.33	−16.37	−17.40
(011) CO₃	1.33	1.20	0.99	−10.08	−16.23	−10.61
(111) Ca	1.30	0.94	1.40	−23.39	−3.82	−33.19
(111) CO₃	1.09	0.83	0.84	−14.94	−6.50	−18.38

^a ¹⁴

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