The composition-dependent adsorption and catalytic properties of PdAg bimetallic surfaces for the partial hydrogenation of 1,3-butadiene to 1-butene were studied by density functional theory. With the increase of Ag content, the activity and selectivity for the partial hydrogenation of 1,3-butadiene to 1-butene were enhanced with the decrease in binding strength of adsorbates. The increase of surface Ag content in PdAg catalysts can thus enhance the catalytic performance of the hydrogenation of 1,3-butadiene.

中文翻译：

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了解PdAg对1,3-丁二烯加氢成1-丁烯的催化作用

利用密度泛函理论研究了Pd Ag双金属表面对1,3-丁二烯部分加氢为1-丁烯的部分组分的吸附和催化性能。随着Ag含量的增加，1,3-丁二烯部分氢化为1-丁烯的活性和选择性随着吸附物结合强度的降低而提高。因此，Pd Ag催化剂中表面Ag含量的增加可以增强1,3-丁二烯氢化的催化性能。