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Title: Understanding the Lithium Storage Mechanism of Ti3C2Tx MXene

Journal Article · · Journal of Physical Chemistry. C
 [1];  [2];  [3];  [1];  [1];  [1];  [1];  [1];  [4];  [4];  [4]; ORCiD logo [4]
  1. Chinese Academy of Sciences, Shenyang (China); Univ. of Science and Technology of China, Shenyang (China)
  2. Chinese Academy of Sciences, Shenyang (China); Univ. of Chinese Academy of Sciences, Beijing (China); Suzhou Univ. of Science and Technology, Suzhou (China)
  3. Monash Univ., Clayton, VIC (Australia)
  4. Chinese Academy of Sciences, Shenyang (China)

MXenes, as an emerging family of conductive two-dimensional materials, hold promise for late-model electrode materials in Li-ion batteries. A primary challenge hindering the development of MXenes as electrode materials is that a complete understanding of the intrinsic storage mechanism underlying the charge/discharge behavior remains elusive. This article presents two key discoveries: first, the characteristics of the Ti3C2Tx structure can be modified systematically by calcination in various atmospheres, and second, these structural changes greatly affect Li-ion storage behavior, which reveals the mechanism for lithium storage in Ti3C2Tx MXene. Specifically, via ammonization, the interlayer spacing gets dilated and uniform, giving rise to only one redox couple. In stark contrast, there are two well-recognized redox couples corresponding to two interlayer spacings in pristine Ti3C2Tx MXene, in which Li-ion (de)intercalation occurs between interlayers in a sequential manner as evidenced by ex situ X-ray diffraction (XRD). Notably, the XRD diffraction peaks shift hardly in the whole range of charge/discharge voltage, indicating a zero-strain feature upon Li-ion (de)intercalation. Moreover, the diffusion-controlled contribution percentage to capacity inversely depends on the scan rate. The understanding suggests a new design principle of the MXene anode: reduced lateral size to shorten the diffusion path and dilated interlayer spacing.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC)
Grant/Contract Number:
AC02-05CH11231
OSTI ID:
1577332
Journal Information:
Journal of Physical Chemistry. C, Vol. 123, Issue 2; ISSN 1932-7447
Publisher:
American Chemical SocietyCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 85 works
Citation information provided by
Web of Science

References (70)

Building better batteries journal February 2008
Challenges in the development of advanced Li-ion batteries: a review journal January 2011
Synthesis and electrical resistivity of lithium-pyrographite intercalation compounds (stages I, II and III) journal July 1979
Microstructural Characterization of Lithiated Graphite journal June 1996
Inverse spinel transition metal oxides for lithium-ion storage with different discharge/charge conversion mechanisms journal November 2016
Microscale spherical carbon-coated Li4Ti5O12 as ultra high power anode material for lithium batteries journal January 2011
Nitridation-Driven Conductive Li 4 Ti 5 O 12 for Lithium Ion Batteries journal November 2008
Hydrogenated Li 4 Ti 5 O 12 Nanowire Arrays for High Rate Lithium Ion Batteries journal October 2012
Clay-Inspired MXene-Based Electrochemical Devices and Photo-Electrocatalyst: State-of-the-Art Progresses and Challenges journal January 2018
Role of Surface Structure on Li-Ion Energy Storage Capacity of Two-Dimensional Transition-Metal Carbides journal April 2014
Two-Dimensional, Ordered, Double Transition Metals Carbides (MXenes) journal August 2015
2D metal carbides and nitrides (MXenes) for energy storage journal January 2017
Na-Ion Intercalation and Charge Storage Mechanism in 2D Vanadium Carbide journal July 2017
MXene: a promising transition metal carbide anode for lithium-ion batteries journal March 2012
Self-Assembly of Transition Metal Oxide Nanostructures on MXene Nanosheets for Fast and Stable Lithium Storage journal April 2018
Atomic Cobalt Covalently Engineered Interlayers for Superior Lithium-Ion Storage journal June 2018
Hollow MXene Spheres and 3D Macroporous MXene Frameworks for Na-Ion Storage journal July 2017
Porous heterostructured MXene/carbon nanotube composite paper with high volumetric capacity for sodium-based energy storage devices journal August 2016
Improved sodium-ion storage performance of Ti 3 C 2 T x MXenes by sulfur doping journal January 2018
Facile Synthesis of Crumpled Nitrogen-Doped MXene Nanosheets as a New Sulfur Host for Lithium-Sulfur Batteries journal January 2018
Interwoven MXene Nanosheet/Carbon-Nanotube Composites as Li-S Cathode Hosts journal November 2016
Sulfur Cathodes Based on Conductive MXene Nanosheets for High-Performance Lithium-Sulfur Batteries journal February 2015
A few-layered Ti 3 C 2 nanosheet/glass fiber composite separator as a lithium polysulphide reservoir for high-performance lithium–sulfur batteries journal January 2016
Conductive two-dimensional titanium carbide ‘clay’ with high volumetric capacitance journal November 2014
Cation Intercalation and High Volumetric Capacitance of Two-Dimensional Titanium Carbide journal September 2013
Stamping of Flexible, Coplanar Micro-Supercapacitors Using MXene Inks journal January 2018
Effect of Postetch Annealing Gas Composition on the Structural and Electrochemical Properties of Ti 2 CT x MXene Electrodes for Supercapacitor Applications journal July 2015
Layered Orthorhombic Nb 2 O 5 @Nb 4 C 3 T x and TiO 2 @Ti 3 C 2 T x Hierarchical Composites for High Performance Li-ion Batteries journal May 2016
Nitrogen-doped Ti 3 C 2 T x MXene electrodes for high-performance supercapacitors journal August 2017
2D molybdenum and vanadium nitrides synthesized by ammoniation of 2D transition metal carbides (MXenes) journal January 2017
Pillared Structure Design of MXene with Ultralarge Interlayer Spacing for High-Performance Lithium-Ion Capacitors journal January 2017
A novel two-dimensional coordination polymer-polypyrrole hybrid material as a high-performance electrode for flexible supercapacitor journal February 2018
Pseudocapacitive Electrodes Produced by Oxidant-Free Polymerization of Pyrrole between the Layers of 2D Titanium Carbide (MXene) journal December 2015
Binder-free 2D titanium carbide (MXene)/carbon nanotube composites for high-performance lithium-ion capacitors journal January 2018
Two-Step Oxidation of Mxene in the Synthesis of Layer-Stacked Anatase Titania with Enhanced Lithium-Storage Performance journal April 2016
Sb 2 O 3 /MXene(Ti 3 C 2 T x ) hybrid anode materials with enhanced performance for sodium-ion batteries journal January 2017
MoS 2 -on-MXene Heterostructures as Highly Reversible Anode Materials for Lithium-Ion Batteries journal January 2018
2D MXene/SnS2 composites as high-performance anodes for sodium ion batteries journal February 2018
Are MXenes Promising Anode Materials for Li Ion Batteries? Computational Studies on Electronic Properties and Li Storage Capability of Ti 3 C 2 and Ti 3 C 2 X 2 (X = F, OH) Monolayer journal September 2012
Prediction and Characterization of MXene Nanosheet Anodes for Non-Lithium-Ion Batteries journal August 2014
Atomic-Scale Recognition of Surface Structure and Intercalation Mechanism of Ti 3 C 2 X journal February 2015
Sodium-Ion Intercalation Mechanism in MXene Nanosheets journal February 2016
Self-assembled Ti 3 C 2 T x MXene film with high gravimetric capacitance journal January 2015
High-Capacitance Mechanism for Ti 3 C 2 T x MXene by in Situ Electrochemical Raman Spectroscopy Investigation journal November 2016
Vapor pressure formulation for water in range 0 to 100 C. A revision journal September 1976
Vibrational properties of Ti 3 C 2 and Ti 3 C 2 T 2 (T = O, F, OH) monosheets by first-principles calculations: a comparative study journal January 2015
Chemical Origin of Termination-Functionalized MXenes: Ti 3 C 2 T 2 as a Case Study journal August 2017
Screening Surface Structure of MXenes by High-Throughput Computation and Vibrational Spectroscopic Confirmation journal July 2018
Visible-Light Photocatalysis in Nitrogen-Doped Titanium Oxides journal July 2001
Synthesis, Characterization, Electronic Structure, and Photocatalytic Activity of Nitrogen-Doped TiO 2 Nanocatalyst journal December 2005
Origin of Photocatalytic Activity of Nitrogen-Doped TiO 2 Nanobelts journal September 2009
The Design of Crystalline Precursors For the Synthesis of M n?1 AX n Phases and Their Application to Ti 3 AlC 2 journal July 2007
Accommodation, Accumulation, and Migration of Defects in Ti 3 SiC 2 and Ti 3 AlC 2 MAX Phases journal August 2013
Carbon vacancies in Ti 2 CT 2 MXenes: defects or a new opportunity? journal January 2017
Cyclic voltammetry journal September 1983
Pseudocapacitive Contributions to Electrochemical Energy Storage in TiO2 (Anatase) Nanoparticles journal October 2007
Electrochemical properties of anatase TiO2 nanotubes as an anode material for lithium-ion batteries journal November 2007
Insertion Electrode Materials for Rechargeable Lithium Batteries journal July 1998
Two-Dimensional MXene with Controlled Interlayer Spacing for Electrochemical Energy Storage journal February 2017
Review of selected electrode–solution interactions which determine the performance of Li and Li ion batteries journal August 2000
Emergent Pseudocapacitance of 2D Nanomaterials journal February 2018
On the correlation between surface chemistry and performance of graphite negative electrodes for Li ion batteries journal September 1999
Zero-Strain Insertion Material of Li[Li[sub 1∕3]Ti[sub 5∕3]]O[sub 4] for Rechargeable Lithium Cells journal January 1995
Interlayer coupling in two-dimensional titanium carbide MXenes journal January 2016
An experimental and computational study to understand the lithium storage mechanism in molybdenum disulfide journal January 2014
Ordered mesoporous α-MoO3 with iso-oriented nanocrystalline walls for thin-film pseudocapacitors journal January 2010
Array of nanosheets render ultrafast and high-capacity Na-ion storage by tunable pseudocapacitance journal June 2016
Tunable Pseudocapacitance in 3D TiO 2−δ Nanomembranes Enabling Superior Lithium Storage Performance journal December 2016
High-rate electrochemical energy storage through Li+ intercalation pseudocapacitance journal April 2013
Pseudocapacitive oxide materials for high-rate electrochemical energy storage journal January 2014

Cited By (4)

Fluorination of MXene by Elemental F 2 as Electrode Material for Lithium‐Ion Batteries journal March 2019
Interlayer engineering of Ti 3 C 2 T x MXenes towards high capacitance supercapacitors journal January 2020
Fluorination of MXene by Elemental F 2 as Electrode Material for Lithium‐Ion Batteries journal April 2019
Fluorination of MXene by Elemental F 2 as Electrode Material for Lithium‐Ion Batteries journal March 2019

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