碳双功能化Mo2N 合原子 Pb 站点,以有效减少
Qingqing Ye1,2, Jun Man1,2, Yixuan Huang1,2
1State Key Laboratory of Chemical Resource Engineering, Beijing Key Laboratory of Electrochemical Process and Technology for Materials, Beijing University of Chemical Technology, Beijing, 100029, P. R. China.
一种新的催化剂通过电催化还原有效地合成氨. 这种具有原子位的碳双功能性碳化物增强了固定,并抑制了的演变,以实现可持续的氨生产.
科学领域:
- 材料科学 材料科学 材料科学
- 电化学 电化学 电化学
- 催化剂是一种催化剂.
背景情况:
- 电催化还原反应 (ENRR) 是一种可持续的氨合成方法.
- 动力限制和竞争的进化反应 (HER) 阻碍了ENRR的效率.
研究的目的:
- 设计和合成一种新型催化剂,以实现高效的ENRR.
- 为了抑制HER并增强N2吸附和激活.
主要方法:
- 一步碳化策略创建碳双功能化Mo2N纳米粒子 (NP),嵌入到具有原子Pb位点 (PbNC) 的层次性多孔碳矩阵中.
- 使用间歇性碳兴奋剂形成碳化物 (Mo2CN) 阶段并产生空缺.
- 使用密度函数理论 (DFT) 计算来理解催化机制.
主要成果:
- 优化的PbNC催化剂在0.1V下达到38.7μg h-1 mg-1的NH3产量,稳定50小时.
- 碳双功能化增强了N2吸附/激活,并通过纳米封闭稳定了活性部位.
- 由于H*亲和力较弱,原子Pb位有效抑制了HER.
结论:
- 开发的催化剂在电催化氨合成中表现出高效率和稳定性.
- 空缺和原子Pb位点对于提高ENRR性能和抑制HER.至关重要.
- 本研究提出了先进的ENRR催化剂设计的综合方法.
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