吸附原子

The chemisorption of Fe adatoms on the ideal Si(001) surface andAu-passivated Si(001) surface are considered.

通过对Fe原子在不同位置的吸附能，吸附体系与清洁表面的层投影态密度以及电子转移情况进行计算。

The results showed that chemisorption of Hg atoms could facilitate dislocation emission and motion.

结果表明：加载裂纹吸附Hg原子后能促进位错的发射、增殖和运动；当吸附促进位错发射和运动达到临界状态时，脆性微裂纹就在原裂纹顶端或在无位错区中形核并解理扩展。

It indicates that the formation of NO dimer is favorable to the NO direct decomposition on the copper surface. The Mülliken population analysis shows that the average charge on Cu is 0.66 e, when the singlet state dimer interacts with the copper.

同时电荷布居分析表明，单重态的二聚体与铜作用时，铜原子上的平均电荷达到0.66e，说明在这种吸附形式中铜被离子化的倾向较大，而且这种吸附形式最有利於NO的分解。

The electron withdrawing group being introduced into the alkyl groups of the n -hexyl ZDDP is able to strengthen chemical adsorption between ZDDP and Fe atoms.

在伯烷基上吸电子基团能增强硫原子与铁原子之间的化学吸附作用力。

The results showing that α-Ti, atomic crystal with face-center structure became TiH2, ionic crystal with cubic-center structure, and there were two parallel process after electrolysis: chemical adsorption occured on the surface of material mainly, but dominant physical adsorption enhanced dislocation of crystal.

结果表明，电解后面心立方结构的原子晶体α-Ti转变成了体心立方结构的离子晶体TiH2；存在着两个不平衡的并行进程：化学吸附主要发生在材料表面，占优势的物理吸附强化了材料内部的晶体位错。

By means of X-ray diffraction, nitrogen adsorption, UV-Vis diffuse reflectance, a successful isomorphous substitution of titanium in the silica framework of SBA-15 samples with Si/Ti = 50, 25, 20 has been proved, the substitution of Ti for Si does not change the highly ordered two-dimensional hexagonal mesostructure of SBA-15. Titanium is totally tetrahedral and highly dispersed.

通过X射线衍射、N2气吸附脱附、紫外—可见漫反射等表征手段，证明在Si/Ti＝50，25，20时，钛原子成功地取代了SBA-15中的硅原子而没有改变SBA-15高度有序的介孔二维六角结构，其中钛全部以四配位状态存在，而且高度分散。

The results show that the tellurium adsorbates could be irreversibly adsorbed upon the Au substrate surface under the open-circuit conditions.

结果显示在开路条件下碲原子在金衬底表面具有不可逆的吸附行为，证实了在金的双电层范围内很难将这种碲的吸附物移走。

The performance and mechanism of corrosion inhibitions of POCA were studied bymethods such as weight-loss, electrochemistry, EDS, XPS and quantum chemistry. It isfound that POCA is cathodic corrosion inhibitor, having synergistic effect with HEDP andZn~(2+). The P and O atoms of phosphono have important electron density contribution toHOMO orbital and the electron gross orbital population is bigger than 1, so it is easy toform absorbing location between phosphono and metal resulting in good corrosioninhibition on mild steel.

通过利用失重法、电化学方法、扫描电镜、X光电子能谱、X-射线能谱和量子化学方法研究膦酰基羧酸的缓蚀性能及其机理，发现POCA是一种阴极型缓蚀剂，与HEDP、Zn~(2+)具有优良的协同增效作用；POCA分子中的膦酰基基团的P原子和O原子对HOMO轨道电荷密度贡献较大，且其轨道电子布居数均大于1，因此比较容易通过膦基与金属形成吸附位而对碳钢具有良好的缓蚀作用；对铜合金具有一定的腐蚀作用，但腐蚀作用比HEDP等有机膦药剂要小得多，同时与BTA具有优良的相容性，添加1mg／L的BTA则可以有效地防止铜合金的腐蚀。

It has been found that the adsorbed Au atoms may sit at the top siteabove the surface and that a passivation layer of Au atoms may passivate theSi(001) surface effectively.

结果表明， Au原子在吸附面上方的顶位吸附最稳定，Au钝化Si(001)表面可以取得明显的钝化效果。

The contact mode AFM could be used to "sweep" the slipcover and expose the mark. As an example, in situ observation of the bovine serum albumin adsorption film on highly ordered pyrolytic graphite was described. When the marks, atomic steps on HOPG, were covered by BSA molecules, contact mode AFM could "sweep" the BSA molecules away.

以对高序热解石墨（Highly ordered pyrolytic graphite，HOPG）表面牛血清白蛋白（Bovine serum albumin，BSA）吸附的原位观察为例，在BSA膜覆盖HOPG表面的原子台阶后，采用接触模式AFM扫描，将BSA"扫"开，露出HOPG原子台阶作为标记，对图像上的结构进行精确定位。

But we don't care about Battlegrounds.

但我们并不在乎沙场中的显露。

Ah! don't mention it, the butcher's shop is a horror.

啊！不用提了。提到肉，真是糟透了。