硅（100）表面乙炔和乙烯通过电子诱导形成C₂
Electron-Induced Formation of C$_{2}$ on Si(100) from Acetylene and Ethylene
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中文总结 AI 辅助
研究利用STM在4K下对硅（100）上乙炔和乙烯进行电子诱导脱氢，观察到激发电压与C₂构型转换等现象，通过密度泛函理论模拟重现实验图像，还发现场发射电子可诱导脱氢，凸显了碳脱氢在原子精确制造中的潜力。
中文摘要 AI 辅助
硅（100）上的氢脱附光刻展示了扫描隧道显微镜（STM）创建功能性原子尺度结构和器件的能力。吸附分子的脱氢是一种潜在的互补技术，但关注较少。例如，C₂的形成可引入局部应变或作为后续反应中心，为位置控制的机械合成提供信息。本研究在4K下用STM研究了硅（100）上乙炔和乙烯的电子诱导脱氢。在+3.2V及以上激发乙炔会引发构型转换，包括形成新的亚层键合几何结构、迁移和解吸，还会诱导脱氢生成C₂。在+4.2V及以上激发可诱导三种观察到的C₂构型之间的转换。密度泛函理论模拟基于泛函选择、二聚体屈曲平均和包含漫射基函数重现了实验图像。此外，场发射电子可在从单分子到半径>10nm的尺度上诱导脱氢。这些观察突出了碳脱氢作为原子精确制造（APF）中额外工具的潜力。
英文摘要
Hydrogen Desorption Lithography on Si(100) demonstrates the ability of the Scanning Tunneling Microscope (STM) to create functional atomic-scale structures and devices. The dehydrogenation of adsorbed molecules represents a potential complementary technique that has received little attention. For example, formation of C$_{2}$ could introduce local strain or act as centers for subsequent reactions and would inform positionally controlled mechanosynthesis, an approach with vast potential in surface patterning and functionalization. Here, we studied the electron-induced dehydrogenation of acetylene and ethylene on Si(100) at 4 K using STM. Excitation of acetylene at +3.2 V and above induces configurational switching, including to a new sublayer-bonded geometry previously predicted to be an adsorption precursor, as well as migration and desorption. Excitation also induces dehydrogenation to C$_{2}$. Switching between three observed C$_{2}$ configurations can be induced by excitation at +4.2 V and above. Simulations using density functional theory reproduced the experimental images based on choice of functional, dimer-buckling averaging, and inclusion of diffuse basis functions. In addition, dehydrogenation could be induced using field-emitted electrons on a scale ranging from a single molecule to a radius of >10 nm. These observations highlight the potential of carbon dehydrogenation as an additional tool in Atomically Precise Fabrication (APF).
