Electronic properties and applications of MXenes: a theoretical review

Superconductivity of monolayer Mo2C: The key role of functional groups

(2017) Jun-Jie Zhang et al.   JOURNAL OF CHEMICAL PHYSICS

Structures and Mechanical and Electronic Properties of the Ti2CO2 MXene Incorporated with Neighboring Elements (Sc, V, B and N)

(2017) Li Feng et al.   JOURNAL OF ELECTRONIC MATERIALS

Large-Area Highly Conductive Transparent Two-Dimensional Ti2CTx Film

(2017) Yajie Yang et al.   Journal of Physical Chemistry Letters

Rational Design of Two-Dimensional Metallic and Semiconducting Spintronic Materials Based on Ordered Double-Transition-Metal MXenes

(2017) Liang Dong et al.   Journal of Physical Chemistry Letters

Magnetic, recyclable PtyCo1−y/Ti3C2X2 (X = O, F) catalyst: a facile synthesis and enhanced catalytic activity for hydrogen generation from the hydrolysis of ammonia borane

(2017) Guangyin Fan et al.   NEW JOURNAL OF CHEMISTRY

Ti3C2 MXene co-catalyst on metal sulfide photo-absorbers for enhanced visible-light photocatalytic hydrogen production

(2017) Jingrun Ran et al.   Nature Communications

Preparation of TiO2/Ti3C2Tx hybrid nanocomposites and their tribological properties as base oil lubricant additives

(2017) Maoquan Xue et al.   RSC Advances

Optoelectronic and spectroscopic characterization of vapour-transport grown Cu2ZnSnS4 single crystals

(2017) Tat Ming Ng et al.   Journal of Materials Chemistry A

Mechanistic Insight into the Chemical Exfoliation and Functionalization of Ti3C2 MXene

(2016) Pooja Srivastava et al.   ACS Applied Materials & Interfaces

Atomic Defects in Monolayer Titanium Carbide (Ti3C2Tx) MXene

(2016) Xiahan Sang et al.   ACS Nano

Preparation and methane adsorption of two-dimensional carbide Ti2C

(2016) Fanfan Liu et al.   ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY

A Two-Dimensional Zirconium Carbide by Selective Etching of Al3C3from Nanolaminated Zr3Al3C5

(2016) Jie Zhou et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Computational characterization of lightweight multilayer MXene Li-ion battery anodes

(2016) Michael Ashton et al.   APPLIED PHYSICS LETTERS

Tunable electronic and magnetic properties of Cr2M′C2T2 (M′ = Ti or V; T = O, OH or F)

(2016) Jianhui Yang et al.   APPLIED PHYSICS LETTERS

Searching for Highly Active Catalysts for Hydrogen Evolution Reaction Based on O-Terminated MXenes through a Simple Descriptor

(2016) Chongyi Ling et al.   CHEMISTRY OF MATERIALS

Thermoelectric Performance of the MXenes M2CO2 (M = Ti, Zr, or Hf)

(2016) Appala Naidu Gandi et al.   CHEMISTRY OF MATERIALS

Lattice dynamics and electronic structures of Ti 3 C 2 O 2 and Mo 2 TiC 2 O 2 (MXenes): The effect of Mo substitution

(2016) Longhua Li   COMPUTATIONAL MATERIALS SCIENCE

Effects of the Interlayer Interaction and Electric Field on the Band Gap of Polar Bilayers: A Case Study of Sc2CO2

(2016) Longhua Li   Journal of Physical Chemistry C

Effects of Applied Potential and Water Intercalation on the Surface Chemistry of Ti2C and Mo2C MXenes

(2016) Kurt D. Fredrickson et al.   Journal of Physical Chemistry C

Calorimetric Determination of Thermodynamic Stability of MAX and MXene Phases

(2016) Geetu Sharma et al.   Journal of Physical Chemistry C

Theoretical Prediction of the Intrinsic Half-Metallicity in Surface-Oxygen-Passivated Cr2N MXene

(2016) Guo Wang   Journal of Physical Chemistry C

Intrinsic Structural, Electrical, Thermal, and Mechanical Properties of the Promising Conductor Mo2C MXene

(2016) Xian-Hu Zha et al.   Journal of Physical Chemistry C

Predicted Surface Composition and Thermodynamic Stability of MXenes in Solution

(2016) Michael Ashton et al.   Journal of Physical Chemistry C

Prediction of Mobility, Enhanced Storage Capacity, and Volume Change during Sodiation on Interlayer-Expanded Functionalized Ti3C2 MXene Anode Materials for Sodium-Ion Batteries

(2016) Yang-Xin Yu   Journal of Physical Chemistry C

Ti2CO2 Nanotubes with Negative Strain Energies and Tunable Band Gaps Predicted from First-Principles Calculations

(2016) Xun Guo et al.   Journal of Physical Chemistry Letters

Schottky-Barrier-Free Contacts with Two-Dimensional Semiconductors by Surface-Engineered MXenes

(2016) Yuanyue Liu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Large-Gap Quantum Spin Hall State in MXenes: d-Band Topological Order in a Triangular Lattice

(2016) Chen Si et al.   NANO LETTERS

Promising electron mobility and high thermal conductivity in Sc2CT2(T = F, OH) MXenes

(2016) Xian-Hu Zha et al.   Nanoscale

Solution-processed titanium carbide MXene films examined as highly transparent conductors

(2016) Marina Mariano et al.   Nanoscale

Monolayer MXenes: promising half-metals and spin gapless semiconductors

(2016) Guoying Gao et al.   Nanoscale

Synthesis of two-dimensional titanium nitride Ti4N3(MXene)

(2016) Patrick Urbankowski et al.   Nanoscale

Vibrational and mechanical properties of single layer MXene structures: a first-principles investigation

(2016) Uğur Yorulmaz et al.   NANOTECHNOLOGY

Interlayer coupling in two-dimensional titanium carbide MXenes

(2016) Tao Hu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Investigation of magnetic and electronic properties of transition metal doped Sc2CT2 (T = O, OH or F) using a first principles study

(2016) Jianhui Yang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Site-projected electronic structure of two-dimensional Ti3C2 MXene: the role of the surface functionalization groups

(2016) Damien Magne et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Proposing the prospects of Ti3CN transition metal carbides (MXenes) as anodes of Li-ion batteries: a DFT study

(2016) Xingzhu Chen et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Isolation of pristine MXene from Nb4AlC3 MAX phase: a first-principles study

(2016) Avanish Mishra et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Probing the electrochemical capacitance of MXene nanosheets for high-performance pseudocapacitors

(2016) Xiao Ji et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Na-ion diffusion in a NASICON-type solid electrolyte: a density functional study

(2016) Kieu My Bui et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

NMR reveals the surface functionalisation of Ti3C2 MXene

(2016) Michael A. Hope et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Electromagnetic interference shielding with 2D transition metal carbides (MXenes)

(2016) F. Shahzad et al.   SCIENCE

Structural stability and electronic properties of multi-functionalized two-dimensional chromium carbides

(2016) Minyeong Je et al.   THIN SOLID FILMS

2D MXenes: A New Family of Promising Catalysts for the Hydrogen Evolution Reaction

(2016) Guoping Gao et al.   ACS Catalysis

Investigations on Nb2C monolayer as promising anode material for Li or non-Li ion batteries from first-principles calculations

(2016) Junping Hu et al.   RSC Advances

Energy storage performance of Vn+1Cn monolayer as electrode material studied by first-principles calculations

(2016) Lina Bai et al.   RSC Advances

Computational studies on the structural, electronic and optical properties of graphene-like MXenes (M2CT2, M = Ti, Zr, Hf; T = O, F, OH) and their potential applications as visible-light driven photocatalysts

(2016) Haijun Zhang et al.   Journal of Materials Chemistry A

MXene: a promising photocatalyst for water splitting

(2016) Zhonglu Guo et al.   Journal of Materials Chemistry A

Quantum spin Hall phase in Mo2M2C3O2 (M = Ti, Zr, Hf) MXenes

(2016) Chen Si et al.   Journal of Materials Chemistry C

High temperature spin-polarized semiconductivity with zero magnetization in two-dimensional Janus MXenes

(2016) Junjie He et al.   Journal of Materials Chemistry C

Controlled growth of ultrathin Mo2C superconducting crystals on liquid Cu surface

(2016) Dechao Geng et al.   2D Materials

Transition Metal-Promoted V2CO2(MXenes): A New and Highly Active Catalyst for Hydrogen Evolution Reaction

(2016) Chongyi Ling et al.   Advanced Science

Two-Dimensional Molybdenum Carbide (MXene) as an Efficient Electrocatalyst for Hydrogen Evolution

(2016) Zhi Wei Seh et al.   ACS Energy Letters

The thermal and electrical properties of the promising semiconductor MXene Hf2CO2

(2016) Xian-Hu Zha et al.   Scientific Reports

Achieving Type I, II, and III Heterojunctions Using Functionalized MXene

(2015) Youngbin Lee et al.   ACS Applied Materials & Interfaces

Half-Metallic Ferromagnetism and Surface Functionalization-Induced Metal–Insulator Transition in Graphene-like Two-Dimensional Cr2C Crystals

(2015) Chen Si et al.   ACS Applied Materials & Interfaces

Monolayer Ti2CO2: A Promising Candidate for NH3 Sensor or Capturer with High Sensitivity and Selectivity

(2015) Xue-fang Yu et al.   ACS Applied Materials & Interfaces

Ultrathin Two-Dimensional Nanomaterials

(2015) Hua Zhang   ACS Nano

Two-Dimensional, Ordered, Double Transition Metals Carbides (MXenes)

(2015) Babak Anasori et al.   ACS Nano

Recent Advances in Two-Dimensional Materials beyond Graphene

(2015) Ganesh R. Bhimanapati et al.   ACS Nano

Quantum anomalous Hall effect and related topological electronic states

(2015) Hongming Weng et al.   ADVANCES IN PHYSICS

First-principles study of metal–insulator control by ion adsorption on Ti2C MXene dioxide monolayers

(2015) Yasunobu Ando et al.   Applied Physics Express

CO2 and temperature dual responsive “Smart” MXene phases

(2015) Jing Chen et al.   CHEMICAL COMMUNICATIONS

Resolving the Structure of Ti3C2Tx MXenes through Multilevel Structural Modeling of the Atomic Pair Distribution Function

(2015) Hsiu-Wen Wang et al.   CHEMISTRY OF MATERIALS

Effect of Postetch Annealing Gas Composition on the Structural and Electrochemical Properties of Ti2CTx MXene Electrodes for Supercapacitor Applications

(2015) R. B. Rakhi et al.   CHEMISTRY OF MATERIALS

Effect of surface functionalization on the electronic transport properties of Ti3C2 MXene

(2015) G. R. Berdiyorov   EPL

Role of the surface effect on the structural, electronic and mechanical properties of the carbide MXenes

(2015) Xian-Hu Zha et al.   EPL

First-principles design of silicene/Sc2CF2 heterojunction as a promising candidate for field effect transistor

(2015) Hui Zhao et al.   JOURNAL OF APPLIED PHYSICS

Heavy-Metal Adsorption Behavior of Two-Dimensional Alkalization-Intercalated MXene by First-Principles Calculations

(2015) Jianxin Guo et al.   Journal of Physical Chemistry C

Atomically Resolved Structural and Chemical Investigation of Single MXene Sheets

(2015) Linda H. Karlsson et al.   NANO LETTERS

High and anisotropic carrier mobility in experimentally possible Ti2CO2(MXene) monolayers and nanoribbons

(2015) Xu Zhang et al.   Nanoscale

Surface group modification and carrier transport properties of layered transition metal carbides (Ti2CTx, T: –OH, –F and –O)

(2015) Shen Lai et al.   Nanoscale

Molecular dynamic study of the mechanical properties of two-dimensional titanium carbides Tin+1Cn (MXenes)

(2015) Vadym N Borysiuk et al.   NANOTECHNOLOGY

Large-area high-quality 2D ultrathin Mo2C superconducting crystals

(2015) Chuan Xu et al.   NATURE MATERIALS

Exploring the possibilities of two-dimensional transition metal carbides as anode materials for sodium batteries

(2015) Eunjeong Yang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Flexible two-dimensional Tin+1Cn (n = 1, 2 and 3) and their functionalized MXenes predicted by density functional theories

(2015) Zhonglu Guo et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Vibrational properties of Ti3C2 and Ti3C2T2 (T = O, F, OH) monosheets by first-principles calculations: a comparative study

(2015) Tao Hu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Hybrid functional study of the NASICON-type Na3V2(PO4)3: crystal and electronic structures, and polaron–Na vacancy complex diffusion

(2015) Kieu My Bui et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

OH-terminated two-dimensional transition metal carbides and nitrides as ultralow work function materials

(2015) Mohammad Khazaei et al.   PHYSICAL REVIEW B

Dirac points with giant spin-orbit splitting in the electronic structure of two-dimensional transition-metal carbides

(2015) H. Fashandi et al.   PHYSICAL REVIEW B

Large-gap two-dimensional topological insulator in oxygen functionalized MXene

(2015) Hongming Weng et al.   PHYSICAL REVIEW B

Synthesis of two-dimensional molybdenum carbide, Mo 2 C, from the gallium based atomic laminate Mo 2 Ga 2 C

(2015) Rahele Meshkian et al.   SCRIPTA MATERIALIA

Recent advances in MXene: Preparation, properties, and applications

(2015) Jin-Cheng Lei et al.   Frontiers of Physics

Microscopic origin of MXenes derived from layered MAX phases

(2015) Zhonglu Guo et al.   RSC Advances

Anisotropic electronic conduction in stacked two-dimensional titanium carbide

(2015) Tao Hu et al.   Scientific Reports

Computational studies on structural and electronic properties of functionalized MXene monolayers and nanotubes

(2015) Xu Zhang et al.   Journal of Materials Chemistry A

Electronic properties and lithium storage capacities of two-dimensional transition-metal nitride monolayers

(2015) Hui Pan   Journal of Materials Chemistry A

MXene nanoribbons

(2015) Shijun Zhao et al.   Journal of Materials Chemistry C

Synthesis of Two-Dimensional Materials by Selective Extraction

(2014) Michael Naguib et al.   ACCOUNTS OF CHEMICAL RESEARCH

Tunable Indirect to Direct Band Gap Transition of Monolayer Sc2CO2 by the Strain Effect

(2014) Youngbin Lee et al.   ACS Applied Materials & Interfaces

Ti3C2 MXene as a High Capacity Electrode Material for Metal (Li, Na, K, Ca) Ion Batteries

(2014) Dequan Er et al.   ACS Applied Materials & Interfaces

Prediction and Characterization of MXene Nanosheet Anodes for Non-Lithium-Ion Batteries

(2014) Yu Xie et al.   ACS Nano

Manipulation of electronic and magnetic properties of M2C (M = Hf, Nb, Sc, Ta, Ti, V, Zr) monolayer by applying mechanical strains

(2014) Shijun Zhao et al.   APPLIED PHYSICS LETTERS

Transparent Conductive Two-Dimensional Titanium Carbide Epitaxial Thin Films

(2014) Joseph Halim et al.   CHEMISTRY OF MATERIALS

Two-dimensional Sc2C: A reversible and high-capacity hydrogen storage material predicted by first-principles calculations

(2014) Qianku Hu et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Investigations on V2C and V2CX2 (X = F, OH) Monolayer as a Promising Anode Material for Li Ion Batteries from First-Principles Calculations

(2014) Junping Hu et al.   Journal of Physical Chemistry C

Tunable Band Structures of Heterostructured Bilayers with Transition-Metal Dichalcogenide and MXene Monolayer

(2014) Zhinan Ma et al.   Journal of Physical Chemistry C

Ion Intercalation into Two-Dimensional Transition-Metal Carbides: Global Screening for New High-Capacity Battery Materials

(2014) Christopher Eames et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Unique Lead Adsorption Behavior of Activated Hydroxyl Group in Two-Dimensional Titanium Carbide

(2014) Qiuming Peng et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Role of Surface Structure on Li-Ion Energy Storage Capacity of Two-Dimensional Transition-Metal Carbides

(2014) Yu Xie et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Electronics based on two-dimensional materials

(2014) Gianluca Fiori et al.   Nature Nanotechnology

Achieving a direct band gap in oxygen functionalized-monolayer scandium carbide by applying an electric field

(2014) Youngbin Lee et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Two-dimensional molybdenum carbides: potential thermoelectric materials of the MXene family

(2014) Mohammad Khazaei et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Enhanced Thermoelectric Performance and Anomalous Seebeck Effects in Topological Insulators

(2014) Yong Xu et al.   PHYSICAL REVIEW LETTERS

The effect of the interlayer element on the exfoliation of layered Mo2AC (A = Al, Si, P, Ga, Ge, As or In) MAX phases into two-dimensional Mo2C nanosheets

(2014) Mohammad Khazaei et al.   SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS

Electronic and optical properties of 2D graphene-like compounds titanium carbides and nitrides: DFT calculations

(2014) H. Lashgari et al.   SOLID STATE COMMUNICATIONS

Dye adsorption and decomposition on two-dimensional titanium carbide in aqueous media

(2014) O. Mashtalir et al.   Journal of Materials Chemistry A

Progress, Challenges, and Opportunities in Two-Dimensional Materials Beyond Graphene

(2013) Sheneve Z. Butler et al.   ACS Nano

25th Anniversary Article: MXenes: A New Family of Two-Dimensional Materials

(2013) Michael Naguib et al.   ADVANCED MATERIALS

Ultrathin Nanosheets of MAX Phases with Enhanced Thermal and Mechanical Properties in Polymeric Compositions: Ti3Si0.75Al0.25C2

(2013) Xiaodong Zhang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Lithium and sodium battery cathode materials: computational insights into voltage, diffusion and nanostructural properties

(2013) M. Saiful Islam et al.   CHEMICAL SOCIETY REVIEWS

MXene: A New Family of Promising Hydrogen Storage Medium

(2013) Qianku Hu et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Structural and Electronic Properties and Stability of MXenes Ti2C and Ti3C2 Functionalized by Methoxy Groups

(2013) Andrey N. Enyashin et al.   Journal of Physical Chemistry C

New Two-Dimensional Niobium and Vanadium Carbides as Promising Materials for Li-Ion Batteries

(2013) Michael Naguib et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Van der Waals heterostructures

(2013) A. K. Geim et al.   NATURE

Hybrid density functional study of structural and electronic properties of functionalized Tin+1Xn(X=C, N) monolayers

(2013) Yu Xie et al.   PHYSICAL REVIEW B

First-principles analysis of MoS2/Ti2C and MoS2/Ti2CY2(Y=Fand OH) all-2D semiconductor/metal contacts

(2013) Li-Yong Gan et al.   PHYSICAL REVIEW B

Graphene-like transition-metal nanocarbides and nanonitrides

(2013) A L Ivanovskii et al.   RUSSIAN CHEMICAL REVIEWS

Cation Intercalation and High Volumetric Capacitance of Two-Dimensional Titanium Carbide

(2013) M. R. Lukatskaya et al.   SCIENCE

Janus graphene from asymmetric two-dimensional chemistry

(2013) Liming Zhang et al.   Nature Communications

Intercalation and delamination of layered carbides and carbonitrides

(2013) Olha Mashtalir et al.   Nature Communications

Oxygen adsorption and dissociation during the oxidation of monolayer Ti2C

(2013) Li-Yong Gan et al.   Journal of Materials Chemistry A

Two-Dimensional Transition Metal Carbides

(2012) Michael Naguib et al.   ACS Nano

Novel Electronic and Magnetic Properties of Two-Dimensional Transition Metal Carbides and Nitrides

(2012) Mohammad Khazaei et al.   ADVANCED FUNCTIONAL MATERIALS

Diffusion Mechanism of Polaron–Li Vacancy Complex in Cathode Material Li$_{2}$FeSiO$_{4}$

(2012) Kieu My Bui et al.   Applied Physics Express

Are MXenes Promising Anode Materials for Li Ion Batteries? Computational Studies on Electronic Properties and Li Storage Capability of Ti3C2 and Ti3C2X2 (X = F, OH) Monolayer

(2012) Qing Tang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A Non-Aqueous Asymmetric Cell with a Ti2C-Based Two-Dimensional Negative Electrode

(2012) J. Come et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Electronics and optoelectronics of two-dimensional transition metal dichalcogenides

(2012) Qing Hua Wang et al.   Nature Nanotechnology

Topological materials

(2012) Binghai Yan et al.   REPORTS ON PROGRESS IN PHYSICS

Field-Effect Tunneling Transistor Based on Vertical Graphene Heterostructures

(2012) L. Britnell et al.   SCIENCE

First principles study of two-dimensional early transition metal carbides

(2012) Murat Kurtoglu et al.   MRS Communications

Two-Dimensional Nanocrystals Produced by Exfoliation of Ti3AlC2

(2011) Michael Naguib et al.   ADVANCED MATERIALS

Perspectives on thermoelectrics: from fundamentals to device applications

(2011) M. Zebarjadi et al.   Energy & Environmental Science

Progress in research and development on MAX phases: a family of layered ternary compounds

(2011) Z M Sun   INTERNATIONAL MATERIALS REVIEWS

Tunable metal–insulator transition in double-layer graphene heterostructures

(2011) L. A. Ponomarenko et al.   Nature Physics

Topological insulators and superconductors

(2011) Xiao-Liang Qi et al.   REVIEWS OF MODERN PHYSICS

Two-Dimensional Nanosheets Produced by Liquid Exfoliation of Layered Materials

(2011) J. N. Coleman et al.   SCIENCE

Effects of Off-Stoichiometry of LiC6 on the Lithium Diffusion Mechanism and Diffusivity by First Principles Calculations

(2010) Kazuaki Toyoura et al.   Journal of Physical Chemistry C

Lithium Diffusion in Graphitic Carbon

(2010) Kristin Persson et al.   Journal of Physical Chemistry Letters

Is lithium the new gold?

(2010) Jean-Marie Tarascon   Nature Chemistry

Thermodynamic and kinetic properties of the Li-graphite system from first-principles calculations

(2010) Kristin Persson et al.   PHYSICAL REVIEW B

Doping-dependent thermopower of PbTe from Boltzmann transport calculations

(2010) David J. Singh   PHYSICAL REVIEW B

Colloquium: Topological insulators

(2010) M. Z. Hasan et al.   REVIEWS OF MODERN PHYSICS

First-principles study of hydrogen storage over Ni and Rh doped BN sheets

(2009) Natarajan Sathiyamoorthy Venkataramanan et al.   CHEMICAL PHYSICS

Chemical engineering of prehydrogenated C and BN-sheets by Li: Application in hydrogen storage

(2009) Mohammad Khazaei et al.   JOURNAL OF APPLIED PHYSICS

Influence of band structure on the large thermoelectric performance of lanthanum telluride

(2009) Andrew F. May et al.   PHYSICAL REVIEW B