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4 Cl^-吸附在Fe (100)和(110)T、H、B不同位置上的吸附能(E_ads)和吸附距离(

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

)

Table 4 Adsorption energy (E_ads) and adsorption distance (

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

) for Cl^- adsorbed in T (on-top), H (hollow), B (bridge) sites on Fe(100) and Fe(110) calculated by the first principles calculations

Surface	Position	E_ads(eV)	$\begin{matrix} d_{C l^{-}} \end{matrix}$ (nm)
(100)	T	-0.48	0.218
	H	-0.48	0.225
	B	-0.67	0.163
(110)	T	-0.27	0.219
	H	-0.73	0.163
	B	-0.30	0.216