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Synthesis and Electrochemical Properties of Two-Dimensional Hafnium Carbide

Jie ZhouEngineering Laboratory of Specialty Fibers and Nuclear Energy Materials, Ningbo Institute of Materials Engineering and Technology, Chinese Academy of Sciences, Ningbo, Zhejiang 315201, ChinaXian‐Hu ZhaEngineering Laboratory of Specialty Fibers and Nuclear Energy Materials, Ningbo Institute of Materials Engineering and Technology, Chinese Academy of Sciences, Ningbo, Zhejiang 315201, ChinaXiaobing ZhouEngineering Laboratory of Specialty Fibers and Nuclear Energy Materials, Ningbo Institute of Materials Engineering and Technology, Chinese Academy of Sciences, Ningbo, Zhejiang 315201, ChinaFanyan ChenEngineering Laboratory of Specialty Fibers and Nuclear Energy Materials, Ningbo Institute of Materials Engineering and Technology, Chinese Academy of Sciences, Ningbo, Zhejiang 315201, ChinaGuoliang GaoEnergy Storage Division, Ningbo Institute of Materials Engineering and Technology, Chinese Academy of Sciences, Ningbo, Zhejiang 315201, ChinaShuwei WangEnergy Storage Division, Ningbo Institute of Materials Engineering and Technology, Chinese Academy of Sciences, Ningbo, Zhejiang 315201, ChinaCai ShenEnergy Storage Division, Ningbo Institute of Materials Engineering and Technology, Chinese Academy of Sciences, Ningbo, Zhejiang 315201, ChinaTao ChenEngineering Laboratory of Specialty Fibers and Nuclear Energy Materials, Ningbo Institute of Materials Engineering and Technology, Chinese Academy of Sciences, Ningbo, Zhejiang 315201, ChinaChunyi ZhiDepartment of Physics and Material Science, City University of Hong Kong, Kowloon, Hong Kong SAR ChinaPer EklundThin Film Physics Division, Linköping University, IFM, 581 83 Linköping, SwedenShiyu DuEngineering Laboratory of Specialty Fibers and Nuclear Energy Materials, Ningbo Institute of Materials Engineering and Technology, Chinese Academy of Sciences, Ningbo, Zhejiang 315201, ChinaJianming XueState Key Laboratory of Nuclear Physics and Technology, CAPT and IFSA Collaborative Innovation Center of MoE, Peking University, Beijing 100871, ChinaWei‐Qun ShiLaboratory of Nuclear Energy Chemistry and Key Laboratory for Biomedical Effects of Nanomaterials and Nanosafety, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049, ChinaZhifang ChaiLaboratory of Nuclear Energy Chemistry and Key Laboratory for Biomedical Effects of Nanomaterials and Nanosafety, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049, ChinaQing HuangEngineering Laboratory of Specialty Fibers and Nuclear Energy Materials, Ningbo Institute of Materials Engineering and Technology, Chinese Academy of Sciences, Ningbo, Zhejiang 315201, China
2017en
ABI

Аннотация

We demonstrate fabrication of a two-dimensional Hf-containing MXene, Hf3C2Tz, by selective etching of a layered parent Hf3[Al(Si)]4C6 compound. A substitutional solution of Si on Al sites effectively weakened the interfacial adhesion between Hf–C and Al(Si)–C sublayers within the unit cell of the parent compound, facilitating the subsequent selective etching. The underlying mechanism of the Si-alloying-facilitated etching process is thoroughly studied by first-principles density functional calculations. The result showed that more valence electrons of Si than Al weaken the adhesive energy of the etching interface. The MXenes were determined to be flexible and conductive. Moreover, this 2D Hf-containing MXene material showed reversible volumetric capacities of 1567 and 504 mAh cm–3 for lithium and sodium ions batteries, respectively, at a current density of 200 mAg–1 after 200 cycles. Thus, Hf3C2Tz MXenes with a 2D structure are candidate anode materials for metal-ion intercalation, especially for applications where size matters.

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