For heterogeneous catalysts with nitrogen doped carbon materials as supporting substrates, accurate nitrogen (N) species and content is an important factor for promoting the catalytic activity. In this paper, N-doped graphdiyne (NGDY) was prepared from tetraethynylpyrazine (TEP) by bottom-up synthesis method as the support of metal nanoparticles. Specific pyridine nitrogen atoms are introduced in the N-doped carbon material. This unique structure makes it a promising material to support ultrafine metal particles or clusters. Microwave-assisted anchoring of Pd, Pt, Cu, Ni nanoparticles on NGDY generated novel hybrid composites, in which Pd-NGDY has high versatility for Suzuki-Miyaura reaction. DFT calculations revealed a charge transfer from NGDY to Pd NPs, and the free energy distribution showed a downward trend for Suzuki-Miyaura coupling reactions.

对于以氮掺杂碳材料为载体的多相催化剂，准确的氮（N）种类和含量是促进催化活性的重要因素。本文以四乙炔基吡嗪（TEP）为原料，采用自下而上的合成方法，以金属纳米粒子为载体，制备了N掺杂石墨炔（NGDY）。特定的吡啶氮原子被引入到 N 掺杂的碳材料中。这种独特的结构使其成为支撑超细金属颗粒或团簇的有前途的材料。Pd、Pt、Cu、Ni 纳米粒子在 NGDY 上的微波辅助锚定产生了新型杂化复合材料，其中 Pd-NGDY 对 Suzuki-Miyaura 反应具有很高的通用性。DFT 计算显示电荷从 NGDY 转移到 Pd NPs，