Dilute alloys are promising materials for sustainable chemical production; however, their composition and structure affect their performance. Herein, a comprehensive study of the effects of pretreatment conditions on the materials properties of Pd_0.04Au_0.96 nanoparticles partially embedded in porous silica is related to the activity for catalytic hydrogenation of 1-hexyne to 1-hexene. A combination of in situ characterization and theoretical calculations provide evidence that changes in palladium surface content are induced by treatment in oxygen, hydrogen and carbon monoxide at various temperatures. In turn, there are changes in hydrogenation activity because surface palladium is necessary for H₂ dissociation. These Pd_0.04Au_0.96 nanoparticles in the porous silica remain structurally intact under many cycles of activation and deactivation and are remarkably resistant to sintering, demonstrating that dilute alloy catalysts are highly dynamic systems that can be tuned and maintained in a active state.

稀合金是用于可持续化学生产的有前途的材料；然而，它们的组成和结构会影响它们的性能。在此，全面研究了预处理条件对部分嵌入多孔二氧化硅中的Pd _0.04 Au _0.96纳米粒子材料性能的影响，该纳米粒子与1-己炔催化加氢为1-己烯的活性有关。原位表征和理论计算的结合提供了证据，表明钯表面含量的变化是通过在不同温度下在氧气、氢气和一氧化碳中处理引起的。反过来，氢化活性发生变化，因为表面钯对于H ₂解离是必需的。多孔二氧化硅中的这些 Pd _0.04 Au _0.96纳米颗粒在多次活化和失活循环下仍保持结构完整，并且具有显着的抗烧结性，这表明稀合金催化剂是高度动态的系统，可以调节并保持在活性状态。