Abstract Surface cell Madelung constant is firstly defined for calculating the surface free energy of nanosized crystal grains, which explains the physical performance of small crystals and may be greatly beneficial to the analysis of surface states and the study of the dynamics of crystal nucleation and growth. A new approximative expression of the surface energy and relevant thermodynamic data are used in this calculation. New formula and computing method for calculating the Madelung constant $\alpha$ of any complex crystals are proposed, and the surface free energies and surface electrostatic energies of nanosized crystal grains and the Madelung constant of some complex crystals are theoretically calculated in this paper. The surface free energy of nanosized-crystal-grain TiO2 and the surface electrostatic energy(absolute value) of nanosized-crystal-grain $\alpha$-Al2O3 are found to be the biggest among all the crystal grains including those of other species.
Received: 15 March 2005
Revised: 04 February 2006
Accepted manuscript online:
(Low-dimensional, mesoscopic, nanoscale and other related systems: structure and nonelectronic properties)
Fund: Project supported by the National Defence Pre-Research Foundation of China (Grant No 413100202).
Cite this article:
Zhang Wei-Jia (张维佳), Wang Tian-Min (王天民), Rong Ai-Lun (戎霭伦), Cui Min (催敏) Study of surface cell Madelung constant and surface free energy of nanosized crystal grain 2006 Chinese Physics 15 692
Altmetric calculates a score based on the online attention an article receives. Each coloured thread in the circle represents a different type of online attention. The number in the centre is the Altmetric score. Social media and mainstream news media are the main sources that calculate the score. Reference managers such as Mendeley are also tracked but do not contribute to the score. Older articles often score higher because they have had more time to get noticed. To account for this, Altmetric has included the context data for other articles of a similar age.
