Atomic-Scale Study of Calcite Nucleation in Calcium Oxide

In spite of its wide use, the properties of the CaO/CaCO3 system are still far from being understood, especially the mechanisms underlying the transition between both phases. To investigate this issue, important in practice for storage devices, we employ first-principles atomic-scale simulations of...

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Veröffentlicht in:	Journal of physical chemistry. C 2013-05, Vol.117 (17), p.8813-8821
Hauptverfasser:	Besson, Rémy, Favergeon, Loïc
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemical and Process Engineering Condensed matter: structure, mechanical and thermal properties Cross-disciplinary physics: materials science rheology Engineering Sciences Exact sciences and technology Materials science Mechanical and acoustical properties Methods of deposition of films and coatings film growth and epitaxy Physical properties of thin films, nonelectronic Physics Surfaces and interfaces thin films and whiskers (structure and nonelectronic properties) Theory and models of film growth
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