非传统的双边压缩压力Ni-Ir接口协同加速性氧化
Tang Tang1, XiaoZhi Liu2, Xuan Luo3
1Beijing National Laboratory for Molecular Sciences (BNLMS), Institute of Chemistry, Chinese Academy of Sciences (CAS), Beijing 100190, China.
为氧化反应 (HOR) 开发新的电催化剂至关重要. 一个具有压力应变的新型Ni-Ir接口显著提高了HOR活性和CO耐受性,优于商业催化剂.
科学领域:
- 电化学
- 材料科学
- 催化剂
背景情况:
- 由于 (Had) 和 (OHad) 种的合吸附,氧化反应 (HOR) 比酸性介质要慢得多.
- 萨巴蒂尔原理强调了对Had和OHad具有最佳结合能量的电催化剂的需求,以增强HOR动力学,这是一个持续的挑战.
研究的目的:
- 设计和研究一种非传统的性HOR电催化剂.
- 探讨应力Ni-Ir接口对HOR活性和中间吸附的协同效应.
主要方法:
- 用密度功能理论 (DFT) 模拟来分析拟议的催化剂的电子结构和吸附性质.
- 通过将亚纳米Ir集群嵌入在带有石墨烯的Ni纳米晶体 (Ni-Ir(BCS) /G中进行Ni-Ir接口的实验合成.
- 与商业催化剂相比,电化学表征以评估HOR质量活性和CO耐受性.
主要成果:
- DFT模拟证实,双边压缩应变 (BCS) 优化了Had和OHad吸附,促进了自发和偏好的合.
- 与Ir/C相比,合成的Ni-Ir (BCS) /G催化剂的HOR质量活动增加了7.95倍,与Pt/C相比增加了2.88倍.
- 催化剂对二氧化碳中毒的耐受性显著提高,这是HOR催化剂的常见问题.
结论:
- 应力Ni-Ir接口作为性HOR的有效协同场所,克服动力限制.
- 这项工作提供了通过控制界面应变来设计先进的电催化剂的新策略,以协调反应物的吸附和激活.
- 开发的催化剂代表了HOR催化学的重大进步,提供了高活性和稳定性.
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