n. 被 ... 吸附的原子

While along[0 0 1]direction,the Gd adatom diffuses by exchanging. 而在 [0 0 1]方向則通過(guò)交換機(jī)理擴(kuò)散 .

The diffusion mechanisms of Gd adatom on Cu(110) surface are investigated by means of molecular dynamics. 為了分析Gd吸附原子在Cu( 110 )表面的擴(kuò)散機(jī)理

First, we study the structures of Ag adatom clusters supported on the metal Ag(111) surface using genetic algorithm. 我們首先用該遺傳算法研究了金屬Ag(111)表面Ag吸附團(tuán)簇的結(jié)構(gòu)。

Then, we study systematically the lowest-energy structures of adatom clusters on a series of metal fcc(110) surfaces. 接著，我們又系統(tǒng)的研究了金屬fcc(110)表面吸附團(tuán)簇的最低能量結(jié)構(gòu)。

We find that the diffusion energy barrier is related to the type of step that an adatom belongs to. 計(jì)算結(jié)果表明吸附原子的擴(kuò)散勢(shì)壘與其所在表面所屬臺(tái)階類型有關(guān)；

Moreover, the C adatom can diffuse a long distance on the surface while the adsorbed C2 is more likely to be confined in a local region. 單個(gè)C原子能夠在Si表面擴(kuò)散較長(zhǎng)的距離，而C2分子則比較容易被限制在局部區(qū)域。