Alkali cation stabilization of defects in 2D MXenes at ambient and elevated temperatures

Wyatt, Brian C.; Boebinger, Matthew G.; Hood, Zachary D.; Adhikari, Shiba; Michałowski, Paweł Piotr; Nemani, Srinivasa Kartik; Muraleedharan, Murali Gopal; Bedford, Annabelle; Highland, Wyatt J.; Kent, Paul C.; Unocic, Raymond R.; Anasori, Babak

doi:10.1038/s41467-024-50713-2

Alkali cation stabilization of defects in 2D MXenes at ambient and elevated temperatures

Journal Article · Sun Jul 28 00:00:00 EDT 2024 · Nature Communications

DOI:https://doi.org/10.1038/s41467-024-50713-2· OSTI ID:2428089

^[1]; ^[2]; Hood, Zachary D. ^[3]; ^[3]; ^[4]; Nemani, Srinivasa Kartik ^[1]; Muraleedharan, Murali Gopal ^[5]; ^[6]; Highland, Wyatt J. ^[1]; ^[5]; ^[2]; ^[6]

Indiana Univ.-Purdue Univ. Indianapolis (IUPUI), Indianapolis, IN (United States)
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)
Argonne National Laboratory (ANL), Argonne, IL (United States)
Institute of Microelectronics and Photonics, Warsaw (Poland)
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Indiana Univ.-Purdue Univ. Indianapolis (IUPUI), Indianapolis, IN (United States); Purdue Univ., West Lafayette, IN (United States)

Transition metal carbides have been adopted in energy storage, conversion, and extreme environment applications. Advancements in their 2D counterparts, known as MXenes, enable the design of unique structures at the ~1 nm thickness scale. Alkali cations have been essential in MXenes manufacturing processing, storage, and applications, however, exact interactions of these cations with MXenes are not fully understood. In this study, using Ti₃C₂T_x, Mo₂TiC₂T_x, and Mo₂Ti₂C₃T_x MXenes, we present how transition metal vacancy sites are occupied by alkali cations, and their effect on MXene structure stabilization to control MXene’s phase transition. We examine this behavior using in situ high-temperature x-ray diffraction and scanning transmission electron microscopy, ex situ techniques such as atomic-layer resolution secondary ion mass spectrometry, and density functional theory simulations. In MXenes, this represents an advance in fundamentals of cation interactions on their 2D basal planes for MXenes stabilization and applications. Broadly, this study demonstrates a potential new tool for ideal phase-property relationships of ceramics at the atomic scale.

View Accepted Manuscript (DOE)

Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS); Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF); US Department of the Navy, Office of Naval Research (ONR); USDOE Laboratory Directed Research and Development (LDRD) Program; National Science Foundation (NSF)

Grant/Contract Number:: AC05-00OR22725; AC02-06CH11357

OSTI ID:: 2428089

Alternate ID(s):: OSTI ID: 2505036

Journal Information:: Nature Communications, Journal Name: Nature Communications Journal Issue: 1 Vol. 15; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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