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Interfacial engineering of Mo2C-Mo3C2 heteronanowires for high performance hydrogen evolution reactions.
Nanoscale ( IF 5.8 ) Pub Date : 2019-12-02 , DOI: 10.1039/c9nr08986a Lina Jia 1 , Chen Li 2 , Yaru Zhao 3 , Bitao Liu 2 , Shixiu Cao 2 , Dedan Mou 2 , Tao Han 2 , Gen Chen 4 , Yue Lin 5
Nanoscale ( IF 5.8 ) Pub Date : 2019-12-02 , DOI: 10.1039/c9nr08986a Lina Jia 1 , Chen Li 2 , Yaru Zhao 3 , Bitao Liu 2 , Shixiu Cao 2 , Dedan Mou 2 , Tao Han 2 , Gen Chen 4 , Yue Lin 5
Affiliation
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Non-precious metal-based electrocatalysts with high activity and stability for efficient hydrogen evolution reactions are of critical importance for low-cost and large-scale water splitting. In this work, Mo2C-Mo3C2 heteronanowires with significantly enhanced catalytic performance are constructed from an MoAn precursor via an accurate phase transition process. The structure disordering and surface carbon shell of Mo2C-Mo3C2 heteronanowires can be precisely regulated, resulting in an enlarged surface area and a defect-rich catalytic surface. Density functional theory calculations are used to identify the effect of the defective sites and carbon shell on the free energy for hydrogen adsorption in hydrogen evolution. Meanwhile, the synergistic effect between different phases and the introduced lattice defects of Mo2C-Mo3C2 are considered to enhance the HER catalytic performance. The designed catalyst exhibits optimal electrocatalytic activity in both acidic and alkaline media: low overpotentials of 134 and 116 mV at 10 mA cm-2, a small Tafel slope of 64 mV dec-1, and a long-term stability for 5000 cycles. This work will provide new insights into the design of high-efficiency HER catalysts via interfacial engineering at the nanoscale for commercial water splitting.
中文翻译：
Mo2C-Mo3C2杂纳米线的界面工程用于高性能氢释放反应。
具有高活性和稳定性且有效进行氢气分解反应的非贵金属基电催化剂对于低成本和大规模的水分解至关重要。在这项工作中，由MoAn前驱体通过精确的相变过程构造了具有显着增强的催化性能的Mo2C-Mo3C2杂纳米线。可以精确地调节Mo2C-Mo3C2杂纳米线的结构紊乱和表面碳壳，导致表面积增大和缺陷表面富集。密度泛函理论计算用于确定缺陷位点和碳壳对析氢中氢吸附自由能的影响。同时，认为不同相之间的协同作用和引入的Mo2C-Mo3C2晶格缺陷可增强HER催化性能。设计的催化剂在酸性和碱性介质中均表现出最佳的电催化活性：在10 mA cm-2下的134和116 mV的低过电势，在64 mV dec-1的小Tafel斜率以及5000个循环的长期稳定性。这项工作将通过用于工业水分解的纳米级界面工程为高效HER催化剂的设计提供新的见解。
更新日期：2019-12-13
中文翻译：
Mo2C-Mo3C2杂纳米线的界面工程用于高性能氢释放反应。
具有高活性和稳定性且有效进行氢气分解反应的非贵金属基电催化剂对于低成本和大规模的水分解至关重要。在这项工作中，由MoAn前驱体通过精确的相变过程构造了具有显着增强的催化性能的Mo2C-Mo3C2杂纳米线。可以精确地调节Mo2C-Mo3C2杂纳米线的结构紊乱和表面碳壳，导致表面积增大和缺陷表面富集。密度泛函理论计算用于确定缺陷位点和碳壳对析氢中氢吸附自由能的影响。同时，认为不同相之间的协同作用和引入的Mo2C-Mo3C2晶格缺陷可增强HER催化性能。设计的催化剂在酸性和碱性介质中均表现出最佳的电催化活性：在10 mA cm-2下的134和116 mV的低过电势，在64 mV dec-1的小Tafel斜率以及5000个循环的长期稳定性。这项工作将通过用于工业水分解的纳米级界面工程为高效HER催化剂的设计提供新的见解。
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