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Synthesis and Electrochemical Properties of Two-Dimensional Hafnium Carbide
Chinese Academic Science, Peoples R China; University of Chinese Academic Science, Peoples R China.
Chinese Academic Science, Peoples R China.
Chinese Academic Science, Peoples R China.
Chinese Academic Science, Peoples R China.
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2017 (English)In: ACS Nano, ISSN 1936-0851, E-ISSN 1936-086X, Vol. 11, no 4, p. 3841-3850Article in journal (Refereed) Published
Abstract [en]

We demonstrate fabrication of a two-dimensional Hf-containing MXene, Hf3C2Tz, by selective etching of a layered parent Hf-3[Al(Si)](4)C-6 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.

Place, publisher, year, edition, pages
AMER CHEMICAL SOC , 2017. Vol. 11, no 4, p. 3841-3850
Keyword [en]
MXenes; selective etching; 2D materials; DFT calculations; electrochemical properties
National Category
Materials Chemistry
Identifiers
URN: urn:nbn:se:liu:diva-137613DOI: 10.1021/acsnano.7b00030ISI: 000400233200042PubMedID: 28375599OAI: oai:DiVA.org:liu-137613DiVA, id: diva2:1097354
Note

Funding Agencies|National Natural Science Foundation of China [21671195, 11604346, 51502310, 21577144, 91426304]; key technology of nuclear energy, CAS Interdisciplinary Innovation Team; Swedish Foundation for Strategic Research (SSF); Synergy Grant FUNCASE

Available from: 2017-05-22 Created: 2017-05-22 Last updated: 2017-06-14

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Eklund, Per
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