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首页> 外文期刊>The journal of physical chemistry, C. Nanomaterials and interfaces >Radical-Driven Silicon Surface Passivation by Benzoquinone- and Hydroquinone-Methanol and Photoinitiators
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Radical-Driven Silicon Surface Passivation by Benzoquinone- and Hydroquinone-Methanol and Photoinitiators

机译：苯醌和氢醌 - 甲醇和光引发剂的激进驱动的硅表面钝化

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摘要

This work confirms that radical intermediates are the reactive species in quinhydrone/methanol (QHY/ME) passivation on silicon surfaces. The two constituent parts, p-benzoquinone (BQ) and hydroquinone (HQ), have been studied separately. BQ abstracts the hydrogen atom from methanol to become semiquinone radicals (QH*). Both QH* and the resulting methanol radical are responsible for the large, instantaneous increase in minority carrier lifetime in BQ/ME, obtaining the lowest surface recombination velocity of 1.6 cm/s. HQ releases a hydrogen atom to become QH*. The quinone derivatives containing a lower electronegativity group (Cl- or O=) on the benzene ring form radicals more easily, and give better passivation results. This radical-driven passivation mechanism is also valid on other radical sources. X-ray photoelectron spectroscopy (XPS) supports the radical mechanism in the observation of dominating BQ bonding after 1 h of BQ/ME treatment, and increasing methanol bonding with increasing immersion time, reaching a roughly 21% SiOSi, 13% ME, and 6% BQ monolayer coverage in 24 h for BQ/ME passivated silicon. Density functional theory (DFT) further confirms the thermodynamic possibility of radical bonding and proves that the "edge-on" single-bonded configuration is more energetically favorable than the "face-on" double-bonded configuration.
机译：这项工作证实，自由基中间体是硅表面上喹啉/甲醇（QHY / ME）钝化中的反应性物质。已经分开研究了两个组成部分，p-苯并醌（BQ）和氢醌（HQ）。 BQ将来自甲醇的氢原子摘要成为半醌基团（QH *）。 QH *和所得甲醇的自由基均负责BQ / ME中少数型载体寿命的大型瞬时增加，从而获得1.6cm / s的最低表面重组速度。总HQ释放氢原子以成为QH *。醌衍生物在苯环上含有较低的电酮（Cl-或O =），更容易形成自由基，并提供更好的钝化结果。该激进驱动的钝化机制在其他根治源上也有效。 X射线光电子体光谱（XPS）支持在BQ / ME处理1小时后观察主导BQ键合的自由基机制，并随着浸入时间的增加，增加甲醇键，达到大约21％的SISI，13％ME和6 24小时的％BQ单层覆盖对于BQ / ME钝化硅。密度函数理论（DFT）进一步证实了自由基粘合的热力学可能性，并证明了“边缘”单键合配置比“面对面”双键配置更有利。

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