银原子链等离激元诱导的氢分解

来源 :第二届新型太阳能电池学术研讨会 | 被引量 : 0次 | 上传用户:fulinbo
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局域表面等离激元使得贵金属纳米材料能够有效的驱动光化学反应,其原子尺度的机制仍然是很大的挑战.利用含时密度泛函理论,我们研究了在外加飞秒激光作用下,银原子链上实时的氢分解动力学.银原子链上等离激元诱导的电荷转移到氢分子的反键轨道,最终导致氢分解,结论与实验结果一致.增加激光强度和原子链长度可以增强分解反应,这种增强效应可以归因于更强的电子响应.定量的描述实时电子响应为等离激元诱导的反应提供了基本的微观解释.
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