Microkinetic model for reaction and diffusion of titanium interstitial atoms near a TiO 2 (110) surface
Microkinetic model for reaction and diffusion of titanium interstitial atoms near a TiO 2 (110) surface
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TiO 2 (110) 表面附近钛间隙原子反应和扩散的微动力学模型
DOI：
10.1039/c7cp07802a
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发表时间：
2018
影响因子：
3.3
通讯作者：
Seebauer, Edmund G.
中科院分区：
文献类型：
--
作者：
Gilliard-AbdulAziz, Kandis Leslie;Seebauer, Edmund G.
半导体表面提供了有效的途径注入原生点缺陷到下面的体。在金红石中的间隙原子的情况下，TiO2（110）表面体现了这种行为，尽管在块体中的扩展缺陷，如血小板和晶体剪切面，根据特定条件充当净源或汇。本文在同位素气固交换实验的基础上，建立了描述扩散的定量微动力学模型。关键激活势垒为0.55 eV的表面注入，0.50 eV的点对点跳跃扩散和3.3 eV的钛间隙从扩展缺陷解离。
Semiconductor surfaces provide efficient pathways for injecting native point defects into the underlying bulk. In the case of interstitial atoms in rutile, the TiO2(110) surface exemplifies this behavior, although extended defects in the bulk such as platelets and crystallographic shear planes act as net sources or sinks depending upon specific conditions. The present work constructs a quantitative microkinetic model to describe diffusion and based upon isotopic gas–solid exchange experiments. Key activation barriers for are 0.55 eV for surface injection, 0.50 eV for site-to-site hopping diffusion, and 3.3 eV for dissociation of titanium interstitials from extended defects.