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Ruthenium-Doped Cobalt-Chromium Layered Double Hydroxides for Enhancing Oxygen Evolution through Regulating Charge Transfer.
Small ( IF 13.0 ) Pub Date : 2020-01-10 , DOI: 10.1002/smll.201905328 Chenlong Dong 1 , Xilin Zhang 2, 3 , Jie Xu 4 , Rui Si 5 , Jun Sheng 1 , Jun Luo 4 , Shaoning Zhang 6 , Wujie Dong 6 , Guobao Li 1 , Weichao Wang 2, 3 , Fuqiang Huang 1, 6
Small ( IF 13.0 ) Pub Date : 2020-01-10 , DOI: 10.1002/smll.201905328 Chenlong Dong 1 , Xilin Zhang 2, 3 , Jie Xu 4 , Rui Si 5 , Jun Sheng 1 , Jun Luo 4 , Shaoning Zhang 6 , Wujie Dong 6 , Guobao Li 1 , Weichao Wang 2, 3 , Fuqiang Huang 1, 6
Affiliation
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Exploring the origin of transition metal (TM) lattice-doped layered double hydroxides (LDHs) toward the oxygen evolution reaction (OER) plays a crucial role in engineering efficient electrocatalysts. Without understanding the physics behind the TM-induced catalytic enhancements, it would be challenging to design the next generation of electrocatalysts. Herein, single Ru atoms are introduced into a CoCr LDHs lattice to improve activity. In 0.1 m KOH, CoCrRu LDHs require only 290 mV overpotential to drive to 10 mA cm-2 and show a Tafel slope of 56.12 mV dec-1 . Electronic structure analyses based on density functional theory confirm that promoted OER activity originates from synergetic charge transfer among Ru, Cr, and Co elements. Specifically, Ru dopants can downshift d states of Co and enhance electron donation of Cr to oxygenates, which essentially breaks the scaling relation and achieves higher activity. This work provides insights into how single atomic Ru dopant tunes the electronic structures of its neighbor's active site Co and thus increases OER activities.
中文翻译：
钌掺杂的钴铬层状双氢氧化物，可通过调节电荷转移来增强氧气的释放。
探索过渡金属（TM）晶格掺杂的层状双氢氧化物（LDHs）趋向于氧气逸出反应（OER）的过程在工程化高效电催化剂中起着至关重要的作用。如果不了解TM诱导的催化增强作用背后的物理原理，设计下一代电催化剂将具有挑战性。在此，将单个Ru原子引入CoCr LDHs晶格中以提高活性。在0.1 m KOH中，CoCrRu LDH仅需要290 mV的超电势即可驱动至10 mA cm-2，并显示出56.12 mV dec-1的Tafel斜率。基于密度泛函理论的电子结构分析证实，提高的OER活性源自Ru，Cr和Co元素之间的协同电荷转移。具体而言，Ru掺杂剂可以降低Co的d态并增强Cr对含氧化合物的电子贡献，这实质上打破了比例关系并实现了更高的活动性。这项工作提供了有关单原子Ru掺杂剂如何调整其邻域活性位Co的电子结构从而增加OER活动的见解。
更新日期：2020-02-07
中文翻译：
钌掺杂的钴铬层状双氢氧化物，可通过调节电荷转移来增强氧气的释放。
探索过渡金属（TM）晶格掺杂的层状双氢氧化物（LDHs）趋向于氧气逸出反应（OER）的过程在工程化高效电催化剂中起着至关重要的作用。如果不了解TM诱导的催化增强作用背后的物理原理，设计下一代电催化剂将具有挑战性。在此，将单个Ru原子引入CoCr LDHs晶格中以提高活性。在0.1 m KOH中，CoCrRu LDH仅需要290 mV的超电势即可驱动至10 mA cm-2，并显示出56.12 mV dec-1的Tafel斜率。基于密度泛函理论的电子结构分析证实，提高的OER活性源自Ru，Cr和Co元素之间的协同电荷转移。具体而言，Ru掺杂剂可以降低Co的d态并增强Cr对含氧化合物的电子贡献，这实质上打破了比例关系并实现了更高的活动性。这项工作提供了有关单原子Ru掺杂剂如何调整其邻域活性位Co的电子结构从而增加OER活动的见解。
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