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首页> 外文期刊>The journal of physical chemistry, C. Nanomaterials and interfaces >Friction of Diamond in the Presence of Water Vapor and Hydrogen Gas. Coupling Gas-Phase Lubrication and First-Principles Studies
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Friction of Diamond in the Presence of Water Vapor and Hydrogen Gas. Coupling Gas-Phase Lubrication and First-Principles Studies

机译：在水蒸气和氢气存在下的金刚石摩擦。气相润滑和第一性原理的耦合

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摘要

Nanocrystalline diamond (NCD) has attracted much attention in recent years because of improvements in growth methodologies that have provided increases in both film thickness and growth rate, while preserving the outstanding mechanical properties of diamond material. We provide here some evidence, based on combined experimental and first-principles, analyses, that ultralow friction of nanocrystalline diamond in the presence of water vapor is associated with OH and H passivation of sliding surfaces, resulting from the dissociative adsorption of H2O molecules. The presence of these adsorbates (OH and H fragments) keeps the surfaces far apart preventing the formation of covalent bonds across the interface. H-passivated surfaces, resulting from the dissociative adsorption of H2 molecules, appears to be more efficient in further reducing friction than OH-termmated surfaces.
机译：近年来，由于生长方法的改进，纳米晶金刚石（NCD）引起了人们的极大关注，该方法在保持金刚石材料出色的机械性能的同时，还增加了膜的厚度和生长速率。在此基础上，我们结合实验和第一性原理提供了一些证据，表明存在水蒸气时纳米晶金刚石的超低摩擦与滑动表面的OH和H钝化有关，这是由于H2O分子的解离吸附所致。这些被吸附物（OH和H碎片）的存在使表面保持较远的距离，从而防止在界面上形成共价键。 H 2分子的解离吸附导致的H钝化表面似乎比OH终止表面更有效地进一步减少了摩擦。

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