纳米化对Fe-20Cr合金在[Cl<sup>-</sup>]=0.1 mol/L硼酸缓冲溶液中Cl<sup>-</sup>吸附行为的影响*

纳米化对Fe-20Cr合金在[Cl^-]=0.1 mol/L硼酸缓冲溶液中Cl^-吸附行为的影响*

张滨, 刘莉, 李天书, 李瑛, 雷鸣凯, 王福会

Influence of Nanocrystallization on Adsorption Behavior of Cl^- on Fe20Cr Alloy in 0.1 mol/L Cl^- Borate Buffer Solution

ZHANG Bin, LIU Li, LI Tianshu, LI Ying, LEI Mingkai, WANG Fuhui

表5 界面处Cr含量改变对于Cl^-吸附在Fe (100) B(bridge)位置上的总能(E_t)和吸附距离(

\begin{matrix} d_{C l^{-}} \end{matrix}

)的影响

Table 5 Effect of Cr content on the interface to the total energy (E_t) and adsorption distance (

\begin{matrix} d_{C l^{-}} \end{matrix}

) for Cl^- adsorbed in B (bridge) sites on Fe(100) calculated by the first principles calculations

	E_t(eV)	$\begin{matrix} d_{C l^{-}} \end{matrix}$ (nm)
25%Cr	-26280.00	0.195
50%Cr	-27878.18	0.191
75%Cr	-29481.56	0.185