Resolving the structure of Ti3C2Tx MXenes through multilevel structural modeling of the atomic pair distribution function
Abstract
MXenes are a recently discovered family of two-dimensional (2D) early transition metal carbides and carbonitrides, which have already shown many attractive properties and great promise in energy storage and many other applications. But, a complex surface chemistry and small coherence length have been obstacles in some applications of MXenes, also limiting the accuracy of predictions of their properties. In this study, we describe and benchmark a novel way of modeling layered materials with real interfaces (diverse surface functional groups and stacking order between the adjacent monolayers) against experimental data. The structures of three kinds of Ti3C2Tx MXenes (T stands for surface terminating species, including O, OH, and F) produced under different synthesis conditions were resolved for the first time using atomic pair distribution function obtained by high-quality neutron total scattering. We present the true nature of the material can be easily captured with the sensitivity of neutron scattering to the surface species of interest and the detailed “third-generation” structure model. The modeling approach leads to new understanding of MXene structural properties and can replace the currently used idealized models in predictions of a variety of physical, chemical, and functional properties of Ti3C2-based MXenes. Moreover, the developed models can be employedmore »
- Authors:
-
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Drexel Univ., Philadelphia, PA (United States)
- Publication Date:
- Research Org.:
- Energy Frontier Research Centers (EFRC) (United States). Fluid Interface Reactions, Structures and Transport Center (FIRST); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source (SNS)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1235846
- Alternate Identifier(s):
- OSTI ID: 1286975
- Grant/Contract Number:
- AC05-00OR22725; AC02-06CH11357
- Resource Type:
- Journal Article: Accepted Manuscript
- Journal Name:
- Chemistry of Materials
- Additional Journal Information:
- Journal Volume: 28; Journal Issue: 1; Journal ID: ISSN 0897-4756
- Publisher:
- American Chemical Society (ACS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE
Citation Formats
Wesolowski, David J., Wang, Hsiu -Wen, Page, Katharine L., Naguib, Michael, and Gogotsi, Yury. Resolving the structure of Ti3C2Tx MXenes through multilevel structural modeling of the atomic pair distribution function. United States: N. p., 2015.
Web. doi:10.1021/acs.chemmater.5b04250.
Wesolowski, David J., Wang, Hsiu -Wen, Page, Katharine L., Naguib, Michael, & Gogotsi, Yury. Resolving the structure of Ti3C2Tx MXenes through multilevel structural modeling of the atomic pair distribution function. United States. https://doi.org/10.1021/acs.chemmater.5b04250
Wesolowski, David J., Wang, Hsiu -Wen, Page, Katharine L., Naguib, Michael, and Gogotsi, Yury. 2015.
"Resolving the structure of Ti3C2Tx MXenes through multilevel structural modeling of the atomic pair distribution function". United States. https://doi.org/10.1021/acs.chemmater.5b04250. https://www.osti.gov/servlets/purl/1235846.
@article{osti_1235846,
title = {Resolving the structure of Ti3C2Tx MXenes through multilevel structural modeling of the atomic pair distribution function},
author = {Wesolowski, David J. and Wang, Hsiu -Wen and Page, Katharine L. and Naguib, Michael and Gogotsi, Yury},
abstractNote = {MXenes are a recently discovered family of two-dimensional (2D) early transition metal carbides and carbonitrides, which have already shown many attractive properties and great promise in energy storage and many other applications. But, a complex surface chemistry and small coherence length have been obstacles in some applications of MXenes, also limiting the accuracy of predictions of their properties. In this study, we describe and benchmark a novel way of modeling layered materials with real interfaces (diverse surface functional groups and stacking order between the adjacent monolayers) against experimental data. The structures of three kinds of Ti3C2Tx MXenes (T stands for surface terminating species, including O, OH, and F) produced under different synthesis conditions were resolved for the first time using atomic pair distribution function obtained by high-quality neutron total scattering. We present the true nature of the material can be easily captured with the sensitivity of neutron scattering to the surface species of interest and the detailed “third-generation” structure model. The modeling approach leads to new understanding of MXene structural properties and can replace the currently used idealized models in predictions of a variety of physical, chemical, and functional properties of Ti3C2-based MXenes. Moreover, the developed models can be employed to guide the design of new MXene materials with selected surface termination and controlled contact angle, catalytic, optical, electrochemical, and other properties. Finally, we suggest that the multilevel structural modeling should form the basis for a generalized methodology on modeling diffraction and pair distribution function data for 2D and layered materials.},
doi = {10.1021/acs.chemmater.5b04250},
url = {https://www.osti.gov/biblio/1235846},
journal = {Chemistry of Materials},
issn = {0897-4756},
number = 1,
volume = 28,
place = {United States},
year = {Tue Dec 08 00:00:00 EST 2015},
month = {Tue Dec 08 00:00:00 EST 2015}
}
Web of Science
Works referenced in this record:
Two-Dimensional Nanocrystals Produced by Exfoliation of Ti3AlC2
journal, August 2011
- Naguib, Michael; Kurtoglu, Murat; Presser, Volker
- Advanced Materials, Vol. 23, Issue 37, p. 4248-4253
Two-Dimensional Transition Metal Carbides
journal, January 2012
- Naguib, Michael; Mashtalir, Olha; Carle, Joshua
- ACS Nano, Vol. 6, Issue 2
New Two-Dimensional Niobium and Vanadium Carbides as Promising Materials for Li-Ion Batteries
journal, October 2013
- Naguib, Michael; Halim, Joseph; Lu, Jun
- Journal of the American Chemical Society, Vol. 135, Issue 43
Synthesis and characterization of two-dimensional Nb 4 C 3 (MXene)
journal, January 2014
- Ghidiu, M.; Naguib, M.; Shi, C.
- Chem. Commun., Vol. 50, Issue 67
Synthesis of Two-Dimensional Materials by Selective Extraction
journal, December 2014
- Naguib, Michael; Gogotsi, Yury
- Accounts of Chemical Research, Vol. 48, Issue 1
25th Anniversary Article: MXenes: A New Family of Two-Dimensional Materials
journal, December 2013
- Naguib, Michael; Mochalin, Vadym N.; Barsoum, Michel W.
- Advanced Materials, Vol. 26, Issue 7, p. 992-1005
Structure of Nanocrystalline MXene Using Atomic Pair Distribution Function
journal, March 2014
- Shi, Chenyang; Beidaghi, Majid; Naguib, Michael
- Physical Review Letters, Vol. 112, Issue 12
Intercalation and delamination of layered carbides and carbonitrides
journal, April 2013
- Mashtalir, Olha; Naguib, Michael; Mochalin, Vadym N.
- Nature Communications, Vol. 4, Issue 1
Cation Intercalation and High Volumetric Capacitance of Two-Dimensional Titanium Carbide
journal, September 2013
- Lukatskaya, M. R.; Mashtalir, O.; Ren, C. E.
- Science, Vol. 341, Issue 6153
Large-scale delamination of multi-layers transition metal carbides and carbonitrides “MXenes”
journal, January 2015
- Naguib, Michael; Unocic, Raymond R.; Armstrong, Beth L.
- Dalton Transactions, Vol. 44, Issue 20
Conductive two-dimensional titanium carbide ‘clay’ with high volumetric capacitance
journal, November 2014
- Ghidiu, Michael; Lukatskaya, Maria R.; Zhao, Meng-Qiang
- Nature, Vol. 516, Issue 7529
Transparent Conductive Two-Dimensional Titanium Carbide Epitaxial Thin Films
journal, March 2014
- Halim, Joseph; Lukatskaya, Maria R.; Cook, Kevin M.
- Chemistry of Materials, Vol. 26, Issue 7
Electronic and optical properties of 2D graphene-like compounds titanium carbides and nitrides: DFT calculations
journal, October 2014
- Lashgari, H.; Abolhassani, M. R.; Boochani, A.
- Solid State Communications, Vol. 195
Role of Surface Structure on Li-Ion Energy Storage Capacity of Two-Dimensional Transition-Metal Carbides
journal, April 2014
- Xie, Yu; Naguib, Michael; Mochalin, Vadym N.
- Journal of the American Chemical Society, Vol. 136, Issue 17
Novel Electronic and Magnetic Properties of Two-Dimensional Transition Metal Carbides and Nitrides
journal, December 2012
- Khazaei, Mohammad; Arai, Masao; Sasaki, Taizo
- Advanced Functional Materials, Vol. 23, Issue 17
Structural and Electronic Properties and Stability of MX enes Ti 2 C and Ti 3 C 2 Functionalized by Methoxy Groups
journal, June 2013
- Enyashin, Andrey N.; Ivanovskii, Alexander L.
- The Journal of Physical Chemistry C, Vol. 117, Issue 26
MXene: a promising transition metal carbide anode for lithium-ion batteries
journal, March 2012
- Naguib, Michael; Come, Jérémy; Dyatkin, Boris
- Electrochemistry Communications, Vol. 16, Issue 1, p. 61-64
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
- Tang, Qing; Zhou, Zhen; Shen, Panwen
- Journal of the American Chemical Society, Vol. 134, Issue 40
Two-dimensional Ti 3 C 2 as anode material for Li-ion batteries
journal, October 2014
- Sun, Dandan; Wang, Mingshan; Li, Zhengyang
- Electrochemistry Communications, Vol. 47
Ion Intercalation into Two-Dimensional Transition-Metal Carbides: Global Screening for New High-Capacity Battery Materials
journal, October 2014
- Eames, Christopher; Islam, M. Saiful
- Journal of the American Chemical Society, Vol. 136, Issue 46
A Non-Aqueous Asymmetric Cell with a Ti 2 C-Based Two-Dimensional Negative Electrode
journal, January 2012
- Come, J.; Naguib, M.; Rozier, P.
- Journal of The Electrochemical Society, Vol. 159, Issue 8
Two-Dimensional Vanadium Carbide (MXene) as Positive Electrode for Sodium-Ion Capacitors
journal, June 2015
- Dall’Agnese, Yohan; Taberna, Pierre-Louis; Gogotsi, Yury
- The Journal of Physical Chemistry Letters, Vol. 6, Issue 12
Pseudocapacitance of MXene nanosheets for high-power sodium-ion hybrid capacitors
journal, April 2015
- Wang, Xianfen; Kajiyama, Satoshi; Iinuma, Hiroki
- Nature Communications, Vol. 6, Issue 1
High capacitance of surface-modified 2D titanium carbide in acidic electrolyte
journal, November 2014
- Dall'Agnese, Yohan; Lukatskaya, Maria R.; Cook, Kevin M.
- Electrochemistry Communications, Vol. 48
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
- Rakhi, R. B.; Ahmed, Bilal; Hedhili, M. N.
- Chemistry of Materials, Vol. 27, Issue 15
Monolayer Ti 2 CO 2 : A Promising Candidate for NH 3 Sensor or Capturer with High Sensitivity and Selectivity
journal, June 2015
- Yu, Xue-fang; Li, Yan-chun; Cheng, Jian-bo
- ACS Applied Materials & Interfaces, Vol. 7, Issue 24
A novel nitrite biosensor based on the direct electrochemistry of hemoglobin immobilized on MXene-Ti3C2
journal, October 2015
- Liu, Hui; Duan, Congyue; Yang, Chenhui
- Sensors and Actuators B: Chemical, Vol. 218
Controlling the actuation properties of MXene paper electrodes upon cation intercalation
journal, October 2015
- Come, Jeremy; Black, Jennifer M.; Lukatskaya, Maria R.
- Nano Energy, Vol. 17
Two-Dimensional Titanium Carbide for Efficiently Reductive Removal of Highly Toxic Chromium(VI) from Water
journal, January 2015
- Ying, Yulong; Liu, Yu; Wang, Xinyu
- ACS Applied Materials & Interfaces, Vol. 7, Issue 3
Unique Lead Adsorption Behavior of Activated Hydroxyl Group in Two-Dimensional Titanium Carbide
journal, March 2014
- Peng, Qiuming; Guo, Jianxin; Zhang, Qingrui
- Journal of the American Chemical Society, Vol. 136, Issue 11
Magnetic RuCo nanoparticles supported on two-dimensional titanium carbide as highly active catalysts for the hydrolysis of ammonia borane
journal, August 2015
- Li, Xiaojing; Zeng, Chunmei; Fan, Guangyin
- International Journal of Hydrogen Energy, Vol. 40, Issue 30
Preparation of MXene-Cu2O nanocomposite and effect on thermal decomposition of ammonium perchlorate
journal, September 2014
- Gao, Yupeng; Wang, Libo; Li, Zhengyang
- Solid State Sciences, Vol. 35
An extraordinarily stable catalyst: Pt NPs supported on two-dimensional Ti3C2X2 (X = OH, F) nanosheets for oxygen reduction reaction
journal, January 2013
- Xie, Xiaohong; Chen, Siguo; Ding, Wei
- Chemical Communications, Vol. 49, Issue 86
Graphene-like titanium carbides and nitrides Tin+1Cn, Tin+1Nn (n=1, 2, and 3) from de-intercalated MAX phases: First-principles probing of their structural, electronic properties and relative stability
journal, December 2012
- Shein, I. R.; Ivanovskii, A. L.
- Computational Materials Science, Vol. 65
Planar nano-block structures Tin+1Al0.5Cn and Tin+1Cn (n=1, and 2) from MAX phases: Structural, electronic properties and relative stability from first principles calculations
journal, August 2012
- Shein, I. R.; Ivanovskii, A. L.
- Superlattices and Microstructures, Vol. 52, Issue 2
Two-dimensional titanium carbonitrides and their hydroxylated derivatives: Structural, electronic properties and stability of MXenes Ti3C2−xNx(OH)2 from DFTB calculations
journal, November 2013
- Enyashin, A. N.; Ivanovskii, A. L.
- Journal of Solid State Chemistry, Vol. 207
Atomic-Scale Recognition of Surface Structure and Intercalation Mechanism of Ti 3 C 2 X
journal, February 2015
- Wang, Xuefeng; Shen, Xi; Gao, Yurui
- Journal of the American Chemical Society, Vol. 137, Issue 7
Atomically Resolved Structural and Chemical Investigation of Single MXene Sheets
journal, July 2015
- Karlsson, Linda H.; Birch, Jens; Halim, Joseph
- Nano Letters, Vol. 15, Issue 8
Nanoscale structural order from the atomic pair distribution function (PDF): There's plenty of room in the middle
journal, July 2008
- Billinge, Simon J.L.
- Journal of Solid State Chemistry, Vol. 181, Issue 7, p. 1695-1700
Building and refining complete nanoparticle structures with total scattering data
journal, February 2011
- Page, Katharine; Hood, Taylor C.; Proffen, Thomas
- Journal of Applied Crystallography, Vol. 44, Issue 2
Structure and Stability of SnO 2 Nanocrystals and Surface-Bound Water Species
journal, April 2013
- Wang, Hsiu-Wen; Wesolowski, David J.; Proffen, Thomas E.
- Journal of the American Chemical Society, Vol. 135, Issue 18
Structure Determination of Disordered Materials from Diffraction Data
journal, March 2010
- Cliffe, Matthew J.; Dove, Martin T.; Drabold, D. A.
- Physical Review Letters, Vol. 104, Issue 12
New Insights into Complex Materials Using Reverse Monte Carlo Modeling
journal, July 2014
- Playford, Helen Y.; Owen, Lewis R.; Levin, Igor
- Annual Review of Materials Research, Vol. 44, Issue 1
The Nanoscale Ordered MAterials Diffractometer NOMAD at the Spallation Neutron Source SNS
journal, September 2012
- Neuefeind, Jörg; Feygenson, Mikhail; Carruth, John
- Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 287
PDFfit2 and PDFgui: computer programs for studying nanostructure in crystals
journal, July 2007
- Farrow, C. L.; Juhas, P.; Liu, J. W.
- Journal of Physics: Condensed Matter, Vol. 19, Issue 33
Rapid-acquisition pair distribution function (RA-PDF) analysis
journal, November 2003
- Chupas, Peter J.; Qiu, Xiangyun; Hanson, Jonathan C.
- Journal of Applied Crystallography, Vol. 36, Issue 6, p. 1342-1347
Two-dimensional detector software: From real detector to idealised image or two-theta scan
journal, January 1996
- Hammersley, A. P.; Svensson, S. O.; Hanfland, M.
- High Pressure Research, Vol. 14, Issue 4-6, p. 235-248
PDFgetX2: a GUI-driven program to obtain the pair distribution function from X-ray powder diffraction data
journal, July 2004
- Qiu, Xiangyun; Thompson, Jeroen W.; Billinge, Simon J. L.
- Journal of Applied Crystallography, Vol. 37, Issue 4, p. 678-678
DISCUS : a program for diffuse scattering and defect-structure simulation
journal, April 1997
- Proffen, Th.; Neder, R. B.
- Journal of Applied Crystallography, Vol. 30, Issue 2
DShaper : an approach for handling missing low- Q data in pair distribution function analysis of nanostructured systems
journal, October 2015
- Olds, Daniel; Wang, Hsiu-Wen; Page, Katharine
- Journal of Applied Crystallography, Vol. 48, Issue 6
Hydrogen Bond in Layered Materials: Structural and Vibrational Properties of Kaolinite by a Periodic B3LYP Approach
journal, April 2006
- Tosoni, Sergio; Doll, Klaus; Ugliengo, Piero
- Chemistry of Materials, Vol. 18, Issue 8
All-atom ab initio energy minimization of the kaolinite crystal structure
journal, August 1997
- Hobbs, J. David; Cygan, Randall T.; Nagy, Kathryn L.
- American Mineralogist, Vol. 82, Issue 7-8
Molecular Structure of Dimethyl Sulfoxide in DMSO-Intercalated Kaolinites at 298 and 77 K
journal, December 1999
- Frost, Ray L.; Kristof, Janos; Horvath, Erzsebet
- The Journal of Physical Chemistry A, Vol. 103, Issue 48
An ab Initio and Classical Molecular Dynamics Investigation of the Structural and Vibrational Properties of Talc and Pyrophyllite
journal, August 2007
- Larentzos, James P.; Greathouse, Jeffery A.; Cygan, Randall T.
- The Journal of Physical Chemistry C, Vol. 111, Issue 34
Quantum mechanical calculations of dioctahedral 2:1 phyllosilicates: Effect of octahedral cation distributions in pyrophyllite, illite, and smectite
journal, July 2002
- Sainz-Díaz, C. Ignacio; Timón, Vicente; Botella, Vicente
- American Mineralogist, Vol. 87, Issue 7
Ab Initio Study of Sorption on Pyrophyllite: Structure and Acidity of the Edge Sites
journal, March 2006
- Churakov, Sergey V.
- The Journal of Physical Chemistry B, Vol. 110, Issue 9
Molecular models and simulations of layered materials
journal, January 2009
- Cygan, Randall T.; Greathouse, Jeffery A.; Heinz, Hendrik
- Journal of Materials Chemistry, Vol. 19, Issue 17
Vibrational Density of States of Strongly H-Bonded Interfacial Water: Insights from Inelastic Neutron Scattering and Theory
journal, May 2014
- Wang, Hsiu-Wen; DelloStritto, Mark J.; Kumar, Nitin
- The Journal of Physical Chemistry C, Vol. 118, Issue 20
Works referencing / citing this record:
Surface Electrochemical Stability and Strain-Tunable Lithium Storage of Highly Flexible 2D Transition Metal Carbides
journal, September 2018
- Chen, Shu; Fu, Zhongheng; Zhang, Hang
- Advanced Functional Materials, Vol. 28, Issue 44
2D metal carbides and nitrides (MXenes) for energy storage
journal, January 2017
- Anasori, Babak; Lukatskaya, Maria R.; Gogotsi, Yury
- Nature Reviews Materials, Vol. 2, Issue 2
Optimized design for time-of-flight total neutron scattering instrumentation using Monte Carlo simulations with application for the characterization of disordered macromolecules
journal, March 2019
- Han, Zehua; Zuo, Taisen; Ma, Changli
- Instrumentation Science & Technology, Vol. 47, Issue 4
Influences from solvents on charge storage in titanium carbide MXenes
journal, March 2019
- Wang, Xuehang; Mathis, Tyler S.; Li, Ke
- Nature Energy, Vol. 4, Issue 3
Effect of mixed surface terminations on the structural and electrochemical properties of two-dimensional Ti 3 C 2 T 2 and V 2 CT 2 MXenes multilayers
journal, January 2018
- Caffrey, Nuala M.
- Nanoscale, Vol. 10, Issue 28
Self-Assemble and In Situ Formation of Ni 1− x Fe x PS 3 Nanomosaic-Decorated MXene Hybrids for Overall Water Splitting
journal, August 2018
- Du, Cheng-Feng; Dinh, Khang Ngoc; Liang, Qinghua
- Advanced Energy Materials, Vol. 8, Issue 26
Two‐Dimensional Transition Metal Carbides and Nitrides (MXenes): Synthesis, Properties, and Electrochemical Energy Storage Applications
journal, March 2020
- Zhang, Chuanfang (John); Ma, Yonglu; Zhang, Xuetao
- ENERGY & ENVIRONMENTAL MATERIALS, Vol. 3, Issue 1
Beyond Graphene Anode Materials for Emerging Metal Ion Batteries and Supercapacitors
journal, October 2018
- Mukherjee, Santanu; Ren, Zhongkan; Singh, Gurpreet
- Nano-Micro Letters, Vol. 10, Issue 4
Effect of Synthesis on Quality, Electronic Properties and Environmental Stability of Individual Monolayer Ti 3 C 2 MXene Flakes
journal, November 2016
- Lipatov, Alexey; Alhabeb, Mohamed; Lukatskaya, Maria R.
- Advanced Electronic Materials, Vol. 2, Issue 12
Interwoven MXene Nanosheet/Carbon-Nanotube Composites as Li-S Cathode Hosts
journal, November 2016
- Liang, Xiao; Rangom, Yverick; Kwok, Chun Yuen
- Advanced Materials, Vol. 29, Issue 3
Surface Modified MXene‐Based Nanocomposites for Electrochemical Energy Conversion and Storage
journal, May 2019
- Yu, Hong; Wang, Yonghui; Jing, Yao
- Small, Vol. 15, Issue 25
Promoting Role of MXene Nanosheets in Biomedical Sciences: Therapeutic and Biosensing Innovations
journal, October 2018
- Soleymaniha, Mohammadreza; Shahbazi, Mohammad-Ali; Rafieerad, Ali Reza
- Advanced Healthcare Materials, Vol. 8, Issue 1
Readiness Level of Sodium-Ion Battery Technology: A Materials Review
journal, January 2018
- Chen, Lin; Fiore, Michele; Wang, Ji Eun
- Advanced Sustainable Systems, Vol. 2, Issue 3
MZI‐Based All‐Optical Modulator Using MXene Ti 3 C 2 T x (T = F, O, or OH) Deposited Microfiber
journal, January 2019
- Wu, Qing; Chen, Si; Wang, Yunzheng
- Advanced Materials Technologies, Vol. 4, Issue 4
Differential evolution and Markov chain Monte Carlo analyses of layer disorder in nanosheet ensembles using total scattering
journal, September 2018
- Metz, Peter C.; Koch, Robert; Misture, Scott T.
- Journal of Applied Crystallography, Vol. 51, Issue 5
Electronic properties and applications of MXenes: a theoretical review
journal, January 2017
- Khazaei, Mohammad; Ranjbar, Ahmad; Arai, Masao
- Journal of Materials Chemistry C, Vol. 5, Issue 10
2D Metal Carbides and Nitrides (MXenes) as High-Performance Electrode Materials for Lithium-Based Batteries
journal, September 2018
- Tang, Xiao; Guo, Xin; Wu, Wenjian
- Advanced Energy Materials, Vol. 8, Issue 33
Adhesion of two-dimensional titanium carbides (MXenes) and graphene to silicon
journal, July 2019
- Li, Yanxiao; Huang, Shuohan; Wei, Congjie
- Nature Communications, Vol. 10, Issue 1
Hierarchical porous carbons with layer-by-layer motif architectures from confined soft-template self-assembly in layered materials
journal, June 2017
- Wang, Jie; Tang, Jing; Ding, Bing
- Nature Communications, Vol. 8, Issue 1
Influence of metal ions intercalation on the vibrational dynamics of water confined between MXene layers
journal, November 2017
- Osti, Naresh C.; Naguib, Michael; Ganeshan, Karthik
- Physical Review Materials, Vol. 1, Issue 6
2D organ-like molybdenum carbide (MXene) coupled with MoS 2 nanoflowers enhances the catalytic activity in the hydrogen evolution reaction
journal, January 2020
- Ren, Jie; Zong, Hui; Sun, Yuyun
- CrystEngComm, Vol. 22, Issue 8
Ti 3 C 2 T x (MXene)–polyacrylamide nanocomposite films
journal, January 2016
- Naguib, Michael; Saito, Tomonori; Lai, Sophia
- RSC Advances, Vol. 6, Issue 76
A numerical method for deriving shape functions of nanoparticles for pair distribution function refinements
journal, June 2018
- Usher, Tedi-Marie; Olds, Daniel; Liu, Jue
- Acta Crystallographica Section A Foundations and Advances, Vol. 74, Issue 4
Investigation of two‐dimensional hf‐based MXenes as the anode materials for li/na‐ion batteries: A DFT study
journal, February 2019
- Yang, Zhifang; Zheng, Yanping; Li, Wenliang
- Journal of Computational Chemistry, Vol. 40, Issue 13
Recent progress in layered transition metal carbides and/or nitrides (MXenes) and their composites: synthesis and applications
journal, January 2017
- Hong Ng, Vincent Ming; Huang, Hui; Zhou, Kun
- Journal of Materials Chemistry A, Vol. 5, Issue 7
Synthesis of Two-Dimensional Materials for Capacitive Energy Storage
journal, June 2016
- Mendoza-Sánchez, Beatriz; Gogotsi, Yury
- Advanced Materials, Vol. 28, Issue 29
Unleashing the potential of Ti 2 CT x MXene as a pulse modulator for mid-infrared fiber lasers
journal, September 2019
- Yi, Jun; Du, Lin; Li, Jie
- 2D Materials, Vol. 6, Issue 4
On the organization and thermal behavior of functional groups on Ti 3 C 2 MXene surfaces in vacuum
journal, October 2017
- Persson, Ingemar; Näslund, Lars-Åke; Halim, Joseph
- 2D Materials, Vol. 5, Issue 1
The critical role of point defects in improving the specific capacitance of δ-MnO2 nanosheets
journal, February 2017
- Gao, Peng; Metz, Peter; Hey, Trevyn
- Nature Communications, Vol. 8, Issue 1
Adsorptive environmental applications of MXene nanomaterials: a review
journal, January 2018
- Zhang, Yujuan; Wang, Lin; Zhang, Ningning
- RSC Advances, Vol. 8, Issue 36
Electronic and Optical Properties of 2D Transition Metal Carbides and Nitrides (MXenes)
journal, November 2018
- Hantanasirisakul, Kanit; Gogotsi, Yury
- Advanced Materials, Vol. 30, Issue 52
Distinguishing electronic contributions of surface and sub-surface transition metal atoms in Ti-based MXenes
journal, February 2020
- Yang, Yizhou; Hantanasirisakul, Kanit; Frey, Nathan C.
- 2D Materials, Vol. 7, Issue 2
Pressure-induced shear and interlayer expansion in Ti 3 C 2 MXene in the presence of water
journal, January 2018
- Ghidiu, Michael; Kota, Sankalp; Drozd, Vadym
- Science Advances, Vol. 4, Issue 1
Pristine Titanium Carbide MXene Films with Environmentally Stable Conductivity and Superior Mechanical Strength
journal, November 2019
- Chen, Hongwu; Wen, Yeye; Qi, Yingyi
- Advanced Functional Materials, Vol. 30, Issue 5
Exploring the microscopic mechanism of pseudocapacitance with electronic structures in monolayer 1T-MoS 2 electrodes for supercapacitors
journal, January 2019
- Zhang, Zhenzhou; Wu, Maokun; Wang, Lijing
- Materials Chemistry Frontiers, Vol. 3, Issue 7
Control of MXenes’ electronic properties through termination and intercalation
journal, January 2019
- Hart, James L.; Hantanasirisakul, Kanit; Lang, Andrew C.
- Nature Communications, Vol. 10, Issue 1
Recent Advances in Layered Ti 3 C 2 T x MXene for Electrochemical Energy Storage
journal, February 2018
- Xiong, Dongbin; Li, Xifei; Bai, Zhimin
- Small, Vol. 14, Issue 17
MXene: an emerging two-dimensional material for future energy conversion and storage applications
journal, January 2017
- Chaudhari, Nitin K.; Jin, Hanuel; Kim, Byeongyoon
- Journal of Materials Chemistry A, Vol. 5, Issue 47
Scalable Synthesis of Ti 3 C 2 T x MXene
journal, March 2020
- Shuck, Christopher E.; Sarycheva, Asia; Anayee, Mark
- Advanced Engineering Materials, Vol. 22, Issue 3
Nanoscale Elastic Changes in 2D Ti 3 C 2 T x (MXene) Pseudocapacitive Electrodes
journal, March 2016
- Come, Jeremy; Xie, Yu; Naguib, Michael
- Advanced Energy Materials, Vol. 6, Issue 9
Electronic and vibrational properties of -based MXenes: From experiments to first-principles modeling
journal, March 2018
- Champagne, Aurélie; Shi, Lu; Ouisse, Thierry
- Physical Review B, Vol. 97, Issue 11
Double transition metal MXenes with wide band gaps and novel magnetic properties
journal, January 2018
- Sun, Weiwei; Xie, Yu; Kent, Paul R. C.
- Nanoscale, Vol. 10, Issue 25
Surface Functional Groups and Electrochemical Behavior in Dimethyl Sulfoxide-Delaminated Ti 3 C 2 T x MXene
journal, October 2018
- Qian, Aniu; Seo, Jung Yong; Shi, Hu
- ChemSusChem, Vol. 11, Issue 21
Two‐dimensional MXenes for lithium‐sulfur batteries
journal, January 2020
- Zhang, Chuanfang (John); Cui, Linfan; Abdolhosseinzadeh, Sina
- InfoMat, Vol. 2, Issue 4
Metallic MXene Saturable Absorber for Femtosecond Mode-Locked Lasers
journal, July 2017
- Jhon, Young In; Koo, Joonhoi; Anasori, Babak
- Advanced Materials, Vol. 29, Issue 40
On the Structural Stability of MXene and the Role of Transition Metal Adatoms
journal, January 2018
- Palisaitis, Justinas; Persson, Ingemar; Halim, Joseph
- Nanoscale, Vol. 10, Issue 23
Effect of surface termination on the lattice thermal conductivity of monolayer Ti 3 C 2 T z MXenes
journal, August 2019
- Gholivand, Hamed; Fuladi, Shadi; Hemmat, Zahra
- Journal of Applied Physics, Vol. 126, Issue 6
Solution-processed titanium carbide MXene films examined as highly transparent conductors
journal, January 2016
- Mariano, Marina; Mashtalir, Olha; Antonio, Francisco Q.
- Nanoscale, Vol. 8, Issue 36
Highly Conductive Optical Quality Solution-Processed Films of 2D Titanium Carbide
journal, April 2016
- Dillon, Andrew D.; Ghidiu, Michael J.; Krick, Alex L.
- Advanced Functional Materials, Vol. 26, Issue 23
Asymmetric Flexible MXene-Reduced Graphene Oxide Micro-Supercapacitor
journal, November 2017
- Couly, Cedric; Alhabeb, Mohamed; Van Aken, Katherine L.
- Advanced Electronic Materials, Vol. 4, Issue 1
Tracking Ionic Rearrangements and Interpreting Dynamic Volumetric Changes in Two‐Dimensional Metal Carbide Supercapacitors: A Molecular Dynamics Simulation Study
journal, January 2018
- Xu, Kui; Lin, Zifeng; Merlet, Céline
- ChemSusChem, Vol. 11, Issue 12
Microscopic dynamics in room-temperature ionic liquids confined in materials for supercapacitor applications
journal, January 2020
- Osti, Naresh C.; Mamontov, Eugene
- Sustainable Energy & Fuels, Vol. 4, Issue 4
A suite-level review of the neutron powder diffraction instruments at Oak Ridge National Laboratory
journal, September 2018
- Calder, S.; An, K.; Boehler, R.
- Review of Scientific Instruments, Vol. 89, Issue 9
Tracking Ionic Rearrangements and Interpreting Dynamic Volumetric Changes in Two‐Dimensional Metal Carbide Supercapacitors: A Molecular Dynamics Simulation Study
journal, March 2018
- Xu, Kui; Lin, Zifeng; Merlet, Céline
- ChemSusChem, Vol. 11, Issue 12
Effect of mixed surface terminations on the structural and electrochemical properties of two-dimensional Ti3C2T2 and V2CT2 MXenes multilayers
text, January 2018
- Caffrey, Nuala M.
- arXiv
Effect of Surface Termination on the Lattice Thermal Conductivity of Monolayer Ti3C2Tz MXenes
text, January 2019
- Gholivand, Hamed; Fuladi, Shadi; Hemmat, Zahra
- arXiv
Beyond Graphene Anode Materials for Emerging Metal Ion Batteries and Supercapacitors
journal, October 2018
- Mukherjee, Santanu; Ren, Zhongkan; Singh, Gurpreet
- Nano-Micro Letters, Vol. 10, Issue 4
Multifunctional Pure MXene Fiber from Liquid Crystals of Only Water and MXene
journal, March 2020
- Naguib, Michael
- ACS Central Science, Vol. 6, Issue 3
Additive-Free MXene Liquid Crystals and Fibers
journal, February 2020
- Zhang, Jizhen; Uzun, Simge; Seyedin, Shayan
- ACS Central Science, Vol. 6, Issue 2
pH-Dependent Distribution of Functional Groups on Titanium-Based MXenes
journal, July 2019
- Ibragimova, Rina; Puska, Martti J.; Komsa, Hannu-Pekka
- ACS Nano, Vol. 13, Issue 8
Control of MXenes’ electronic properties through termination and intercalation
journal, January 2019
- Hart, James L.; Hantanasirisakul, Kanit; Lang, Andrew C.
- Nature Communications, Vol. 10, Issue 1
Adhesion of two-dimensional titanium carbides (MXenes) and graphene to silicon
journal, July 2019
- Li, Yanxiao; Huang, Shuohan; Wei, Congjie
- Nature Communications, Vol. 10, Issue 1
First-Principles Studies of Adsorptive Remediation of Water and Air Pollutants Using Two-Dimensional MXene Materials
journal, November 2018
- Zhang, Yujuan; Zhang, Ningning; Ge, Changchun
- Materials, Vol. 11, Issue 11