Two-Dimensional, Ordered, Double Transition Metals Carbides (MXenes)
2015 (English)In: ACS Nano, ISSN 1936-0851, E-ISSN 1936-086X, Vol. 9, no 10, 9507-9516 p.Article in journal (Refereed) Published
The higher the chemical diversity and structural complexity of two-dimensional (2D) materials, the higher the likelihood they possess unique and useful properties. Herein, density functional theory (DFT) is used to predict the existence of two new families of 2D ordered, carbides (MXenes), MM-2 C-2 and MM-2 C-2(3), where M and M are two different early transition metals. In these solids, M layers sandwich M" carbide layers. By synthesizing Mo2TiC2Tx, Mo2Ti2C3Tx, and Cr2TiC2Tx (where T is a surface termination), we validated the DFT predictions. Since the Mo and Cr atoms are on the outside, they control the 2D flakes chemical and electrochemical properties. The latter was proven by showing quite different electrochemical behavior of Mo2TiC2Tx and Ti3C2Tx. This work further expands the family of 2D materials, offering additional choices of structures, chemistries, and ultimately useful properties.
Place, publisher, year, edition, pages
AMER CHEMICAL SOC , 2015. Vol. 9, no 10, 9507-9516 p.
MXene; 2D materials; DFT calculations; electrochemical properties
IdentifiersURN: urn:nbn:se:liu:diva-123072DOI: 10.1021/acsnano.5b03591ISI: 000363915300009PubMedID: 26208121OAI: oai:DiVA.org:liu-123072DiVA: diva2:876574
Funding Agencies|U.S. Army Research Office [W911NF-14-1-0568]; Fluid Interface Reactions, Structures and Transport (FIRST) Center, an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]; Knut and Alice Wallenberg Foundation; Swedish Research Council2015-12-042015-12-032016-08-31