Haug Leander, Roth Jannik P, Thaler Marco, Steiner Dominik, Menzel Alexander, Tosoni Sergio, Pacchioni Gianfranco, Bertel Erminald
Institute of Physical Chemistry, University of Innsbruck, Innrain 52c, 6020 Innsbruck, Austria.
Phys Chem Chem Phys. 2020 May 28;22(20):11704-11712. doi: 10.1039/d0cp00112k. Epub 2020 May 14.
Adsorption, desorption and fragmentation of borazine on Pt(110) are studied by temperature-programmed desorption, ultraviolet photoemission spectroscopy, workfunction measurements and density functional theory. Borazine adsorbs in part dissociatively, forming an upright (BNH˙) adsorption complex. Radicals with a N-Pt bond are weakly bound and desorb recombinatively following second-order kinetics. Radicals with a B-Pt bond are similar in binding strength to the molecularly adsorbed species, which binds through dispersive forces to the (111) facets of the (1 × 2) reconstructed Pt(110). Both do not desorb but are dehydrogenated beyond T = 150 K. As T approaches 600 K the B-N ring progressively breaks down into its atomic constituents. The borazine ice multilayer is capable of trapping significant amounts of hydrogen. Previous studies of borazine adsorption on other transition metal surfaces yield a very similar pattern. Reported multiple molecular desorption peaks are artefacts. Implications for the nucleation and growth of h-BN monolayers at high temperatures are discussed.
通过程序升温脱附、紫外光电子能谱、功函数测量和密度泛函理论研究了硼嗪在Pt(110)上的吸附、脱附和碎片化过程。硼嗪部分以解离方式吸附，形成直立的(BNH˙)吸附络合物。具有N-Pt键的自由基结合较弱，遵循二级动力学以复合方式脱附。具有B-Pt键的自由基的结合强度与分子吸附物种相似，分子吸附物种通过色散力与(1×2)重构的Pt(110)的(111)面结合。两者都不会脱附，但在T = 150 K以上会脱氢。当T接近600 K时，B-N环逐渐分解为其原子成分。硼嗪冰多层能够捕获大量的氢。先前关于硼嗪在其他过渡金属表面吸附的研究产生了非常相似的模式。报道的多个分子脱附峰是假象。讨论了其对高温下h-BN单层成核和生长的影响。
