Scientific Reports

Table 4 Relaxed surface and attachment energy of vaterite

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 studies ^a	Raiteri's forcefield	Xiao's forcefield	Other studies ^a
(010) Ca	1.51	1.34	1.35	−92.65	4.04	−35.58
(010) CO₃	0.75	0.75	0.62	−37.48	−37.48	−8.29
(100) Ca	1.55	1.34	1.31	−115.51	4.04	−17.50
(100) CO₃	0.75	1.54	1.39	−37.48	−91.41	−14.23
(110) Ca	1.54	0.87	1.18	−146.66	−107.35	−25.94
(110) CO₃	0.87	0.98	1.04	−49.33	−55.29	−15.47
(011) Ca	1.29	1.16	1.22	−41.10	−32.70	−59.90
(011) CO₃	1.12	1.12	0.93	−55.23	−55.23	−19.37
(101) Ca	1.35	0.86	1.47	−34.66	−20.14	−19.33
(101) CO₃	1.22	0.79	1.07	−43.46	−16.62	−18.29
(111) Ca	1.48	0.78	0.82	−190.73	−109.70	−19.47
(111) CO₃	2.39	0.86	0.85	−125.23	−100.57	−25.47

^a ¹⁴

Back to article page

Search

Advanced search

Quick links