此篇論文是探討超高真空(ultra-high vacuum)系統中苯乙炔(Phenylacetylene (PA), C6H5-C≡C-H)在Cu(100)以及O/Cu(100)表面的吸附以及熱反應。使用以下幾種表面分析技術：程序控溫反應/脫附(temperature-programmed reaction/desorption, TPR/D)、反射吸收紅外光譜(reflection-absorption infrared spectroscopy, RAIRS)、X光光電子譜(x-ray photoelectron spectroscopy, XPS)，並輔以密度泛函理論計算(density functional theory, DFT)以模擬分子的吸附結構。
Phenylacetylene/Cu(100)的熱反應產物有Styrene、Benzene以及H2。RAIR光譜顯示PA分子以兩個炔基碳原子鍵結於表面，導致C≡C-H特徵振動吸收訊號(~3327 cm-1)消失，XPS也證明此分子以炔基碳與表面鍵結，產生了283.2 eV的C1s束縛能峰。PA分子在350 K-450 K之間炔基碳氫(≡C-H)斷鍵並可能產生氫化中間物，如(C6H5)C2Hx, x=3,2。在370 K有少量Styrene脫附，高於500 K發生C-C和C-H鍵斷裂生成H2，以及少量Benzene，並在表面留下殘碳。
Phenylacetylene/O/Cu(100)的熱反應產物有H2、H2O、CO、CO2以及少量Benzene。XPS數據指出表面上的O(ad)於低溫(145 K)先抓取炔基氫(≡C-H)形成OH(ad)，相比無O(ad)下，≡C-H分解的溫度低了許多。接著在200 K-350 K形成H2O，升溫到400 K中間物(C6H5-C≡C)持續分解CO、CO2以及H2O。

In this research, adsorption and thermal reactions of Phenylacetylene (C6H5-C≡C-H) on Cu(100) and O/Cu(100) were studied, using temperature-programmed reaction/desorption (TPR/D), reflection-absorption infrared spectroscopy (RAIRS) and X-ray photoelectron spectroscopy. Additionally, density functional theory (DFT) calculations were performed for the molecular adsorption structures. On the Cu(100) surface, styrene, benzene and H2 are formed to be the reaction products. The IR and XPS results show that the typical ≡C-H stretching peak at 3327 cm-1 disappears and that the C1s binding energy peak at 283.2 eV forms, upon adsorption PA on Cu(100), showing the PA surface bonding via the C≡C. At ~370 K, the phenylacetylene undergoes molecular desorption and decomposition to form styrene and benzene. Surface intermediates of (C8H5)C2Hx, x=3,2 are likely to be generated on the surface. On O/Cu(100), the TPR/D shows the formation of H2, H2O, CO and CO2, with a small amount of benzene, in the reaction of PA. The ≡C-H is attacked by the adsorbed O (O(ad)) even at 145 K, forming OH(ad) groups. H2O is desorbed between 200 K and 350 K. Further reaction of the intermediate forms H2O, CO and CO2, with residual carbon left on the surface.

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