催化学报

催化学报 ›› 2019, Vol. 40 ›› Issue (s1): 104-110.

• 综述 • 上一篇    下一篇

表面化学中的核量子效应

郭静1,2, 江颖1,3   

  1. 1 北京大学物理学院量子材料科学中心, 北京 100871;
    2 北京师范大学化学学院, 北京 100875;
    3 量子物质协同创新中心, 北京 100871
  • 出版日期:2019-12-17 发布日期:2019-10-10
  • 通讯作者: 江颖
  • 基金资助:
    国家重点研发计划（2016YFA0300901，2017YFA0205003）；国家自然科学基金基础科学中心项目（11888101）；国家自然科学基金重点项目（11634001）；国家杰出青年科学基金（21725302）.

Nuclear Quantum Effects in Surface Chemistry

GUO Jing1,2, JIANG Ying1,3   

  1. 1 International Center for Quantum Materials, School of Physics, Peking University, Beijing 100871, China;
    2 College of Chemistry, Beijing Normal University, Beijing 100875, China;
    3 Collaborative Innovation Center of Quantum Matter, Beijing 100871, China
  • Online:2019-12-17 Published:2019-10-10
  • Supported by:
    This work was supported by the National Natural Science Foundation of China (11888101, 11634001, 21725302), and the National Key R&D Program (2016YFA0300901, 2017YFA0205003).

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摘要： 原子核的量子效应主要源于量子隧穿和量子涨落（零点运动），广泛存在于氢键相互作用体系和原子核质量较小的轻元素体系.其中，氢原子的核量子效应在室温下就非常显著，存在于诸多化学反应中，然而非常缺乏原子尺度上的理解和认识，尤其对于表/界面体系.本文将首先概述核量子效应的起因和影响；然后介绍核量子效应研究的传统谱学和衍射技术以及新兴的基于扫描探针显微镜的高分辨成像和谱学技术，及其在表面水体系中核量子效应研究的最新研究进展；进一步总结表面催化反应中的核量子效应以及其他轻元素体系的量子隧穿效应；最后对表面化学中的核量子效应的研究所面临的问题和挑战以及未来发展方向进行评述和展望.

关键词: 表面化学, 核量子效应, 扫描探针显微镜, 水, 轻元素体系

Abstract: Nuclear quantum effects (NQEs), including quantum tunneling and zero-point motion, are mostly relevant to hydrogen-bonded (H-boned) systems and other light elements materials. In particular, the quantum behavior of protons is quite prominent at room temperature or higher and has significant effects on chemical reactions. However, the accurate and quantitative description of NQEs on surface chemistry at the atomic scale has proven to be experimentally challenging. This review will first summarize the behaviors of NQEs and its influences on a wide range of scientific disciplines. Then, we will introduce the conventional spectroscopic and diffraction techniques and the emerging scanning probe microscopy (SPM), which allows the access to the degree of freedom of protons at atomic scale both in real and energy space. We will also review the research advances of NQEs of surface water based on these techniques and highlight how the quantum motion of protons influences and assists the surface heterogeneous catalysis of H-rich systems. What's more, the role of quantum tunneling of other elements besides hydrogen in on-surface reaction is also summarized. At last, further challenges and perspective directions of NQEs in surface chemistry are remarked.

Key words: surface chemistry, nuclear quantum effects, scanning probe microscopy, water, light elements