DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Multimodal Spectroscopic Study of Surface Termination Evolution in Cr2TiC2Tx MXene

Journal Article · · Advanced Materials Interfaces
ORCiD logo [1];  [2];  [3];  [4];  [5];  [5]; ORCiD logo [6];  [2];  [1]
  1. Johns Hopkins Univ., Baltimore, MD (United States)
  2. Drexel Univ., Philadelphia, PA (United States)
  3. U.S. Naval Research Lab., Washington, DC (United States)
  4. Stony Brook Univ., NY (United States)
  5. Air Force Research Lab. Materials and Manufacturing Directorate, Wright‐Patterson Air Force Base, OH (United States)
  6. Stony Brook Univ., NY (United States); Brookhaven National Lab. (BNL), Upton, NY (United States)

Abstract Control of surface functionalization of MXenes holds great potential, and in particular, may lead to tuning of magnetic and electronic order in the recently reported magnetic Cr 2 TiC 2 T x . Here, vacuum annealing experiments of Cr 2 TiC 2 T x are reported with in situ electron energy loss spectroscopy and novel in situ Cr K‐edge extended energy loss fine structure analysis, which directly tracks the evolution of the MXene surface coordination environment. These in situ probes are accompanied by benchmarking synchrotron X‐ray absorption fine structure measurements and density functional theory calculations. With the etching method used here, the MXene has an initial termination chemistry of Cr 2 TiC 2 O 1.3 F 0.8 . Annealing to 600 °C results in the complete loss of F, but O termination is thermally stable up to (at least) 700 °C. These findings demonstrate thermal control of F termination in Cr 2 TiC 2 T x and offer a first step toward termination engineering this MXene for magnetic applications. Moreover, this work demonstrates high energy electron spectroscopy as a powerful approach for surface characterization in 2D materials.

Research Organization:
Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF)
Grant/Contract Number:
SC0012704; DMR‐1429661; DMR‐1911592; SC0018618
OSTI ID:
1764594
Alternate ID(s):
OSTI ID: 1804169
Report Number(s):
BNL-220993-2021-JAAM
Journal Information:
Advanced Materials Interfaces, Vol. 8, Issue 5; ISSN 2196-7350
Publisher:
Wiley-VCHCopyright Statement
Country of Publication:
United States
Language:
English

References (38)

NMR reveals the surface functionalisation of Ti 3 C 2 MXene journal January 2016
ATHENA , ARTEMIS , HEPHAESTUS : data analysis for X-ray absorption spectroscopy using IFEFFIT journal June 2005
Generalized Gradient Approximation Made Simple journal October 1996
Two-dimensional MXene Ti3C2 produced by exfoliation of Ti3AlC2 journal January 2017
Direct Detection Electron Energy-Loss Spectroscopy: A Method to Push the Limits of Resolution and Sensitivity journal August 2017
X-ray photoelectron spectroscopy of select multi-layered transition metal carbides (MXenes) journal January 2016
High-Temperature Behavior and Surface Chemistry of Carbide MXenes Studied by Thermal Analysis journal April 2019
Hybrid functionals based on a screened Coulomb potential journal May 2003
MXene: an emerging two-dimensional material for future energy conversion and storage applications journal January 2017
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set journal July 1996
Atomic Repartition in MXenes by Electron Probes journal May 2019
Electronic properties and applications of MXenes: a theoretical review journal January 2017
Guidelines for Synthesis and Processing of Two-Dimensional Titanium Carbide (Ti 3 C 2 T x MXene) journal September 2017
Influence of the exchange screening parameter on the performance of screened hybrid functionals journal December 2006
Two-Dimensional Nanocrystals Produced by Exfoliation of Ti3AlC2 journal August 2011
Surface Termination Dependent Work Function and Electronic Properties of Ti 3 C 2 T x MXene journal December 2018
On the organization and thermal behavior of functional groups on Ti 3 C 2 MXene surfaces in vacuum journal October 2017
MXenes: An Introduction of Their Synthesis, Select Properties, and Applications journal October 2019
Role of Surface Structure on Li-Ion Energy Storage Capacity of Two-Dimensional Transition-Metal Carbides journal April 2014
From ultrasoft pseudopotentials to the projector augmented-wave method journal January 1999
Tunable electronic and magnetic properties of Cr 2 M′C 2 T 2 (M′ = Ti or V; T = O, OH or F) journal November 2016
Predicted Surface Composition and Thermodynamic Stability of MXenes in Solution journal February 2016
A XANES determination of the oxidation state of chromium in silicate glasses journal May 2004
Role of acid mixtures etching on the surface chemistry and sodium ion storage in Ti 3 C 2 T x MXene journal January 2020
EELS at very high energy losses journal September 2017
Site-projected electronic structure of two-dimensional Ti 3 C 2 MXene: the role of the surface functionalization groups journal January 2016
Recent advance in MXenes: A promising 2D material for catalysis, sensor and chemical adsorption journal December 2017
Resolving the Structure of Ti 3 C 2 T x MXenes through Multilevel Structural Modeling of the Atomic Pair Distribution Function journal December 2015
Evidence of a magnetic transition in atomically thin Cr 2 TiC 2 T x MXene journal January 2020
Control of MXenes’ electronic properties through termination and intercalation journal January 2019
Structural Transformation of MXene (V 2 C, Cr 2 C, and Ta 2 C) with O Groups during Lithiation: A First-Principles Investigation journal December 2015
Electronic and Optical Properties of 2D Transition Metal Carbides and Nitrides (MXenes) journal November 2018
Functionalized Poly(3,4-ethylenedioxy bithiophene) Films for Tuning Electrochromic and Thermoelectric Properties journal September 2017
Double transition metal MXenes with wide band gaps and novel magnetic properties journal January 2018
Electromagnetic interference shielding with 2D transition metal carbides (MXenes) journal September 2016
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu journal April 2010
2D titanium carbide (MXene) for wireless communication journal September 2018
Tuning 2D MXenes by Surface Controlling and Interlayer Engineering: Methods, Properties, and Synchrotron Radiation Characterizations journal April 2020