Insights into exfoliation possibility of MAX phases to MXenes

Ab initio modeling of MAX phase solid solutions using the special quasirandom structure approach

(2018) C. Jiang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Mechanical behavior, bonding nature and defect processes of Mo 2 ScAlC 2 : A new ordered MAX phase

(2017) M.A. Hadi et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Automated first-principles mapping for phase-change materials

(2017) Marc Esser et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

New insights into surface-functionalized swelling high charged micas: Their adsorption performance for non-ionic organic pollutants

(2017) M. Carolina Pazos et al.   JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY

Large-Area Highly Conductive Transparent Two-Dimensional Ti2CTx Film

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

Superlubricity of a graphene/MoS2 heterostructure: a combined experimental and DFT study

(2017) Linfeng Wang et al.   Nanoscale

Synthesis of Ti3AuC2, Ti3Au2C2 and Ti3IrC2 by noble metal substitution reaction in Ti3SiC2 for high-temperature-stable Ohmic contacts to SiC

(2017) Hossein Fashandi et al.   NATURE MATERIALS

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

Two-dimensional Mo1.33C MXene with divacancy ordering prepared from parent 3D laminate with in-plane chemical ordering

(2017) Quanzheng Tao 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

Electronic properties and applications of MXenes: a theoretical review

(2017) Mohammad Khazaei et al.   Journal of Materials Chemistry C

Prediction and synthesis of a family of atomic laminate phases with Kagomé-like and in-plane chemical ordering

(2017) Martin Dahlqvist et al.   Science Advances

Mechanistic Insight into the Chemical Exfoliation and Functionalization of Ti3C2 MXene

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

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

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

New ordered MAX phase Mo2TiAlC2: Elastic and electronic properties from first-principles

(2016) M A Hadi et al.   Chinese Physics B

LOBSTER: A tool to extract chemical bonding from plane-wave based DFT

(2016) Stefan Maintz et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

In-Depth Insights into the Key Steps of Delamination of Charged 2D Nanomaterials

(2016) Sabine Rosenfeldt et al.   LANGMUIR

Two-Dimensional Ultrathin MXene Ceramic Nanosheets for Photothermal Conversion

(2016) Han Lin et al.   NANO LETTERS

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

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

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

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

(2016) F. Shahzad et al.   SCIENCE

A novel method for the calculation of bond stretching force constants of diatomic molecules

(2016) Savaş Kaya et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

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

(2016) Minyeong Je et al.   THIN SOLID FILMS

MXene: a promising photocatalyst for water splitting

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

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

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

Demonstration of Li-Ion Capacity of MAX Phases

(2016) Jianguang Xu et al.   ACS Energy Letters

Synthesis and DFT investigation of new bismuth-containing MAX phases

(2016) Denis Horlait 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

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

(2015) Babak Anasori et al.   ACS Nano

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

Experimental and theoretical characterization of ordered MAX phases Mo2TiAlC2 and Mo2Ti2AlC3

(2015) Babak Anasori et al.   JOURNAL OF APPLIED PHYSICS

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

(2015) Shen Lai et al.   Nanoscale

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

Order and disorder in quaternary atomic laminates from first-principles calculations

(2015) Martin Dahlqvist 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

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

Vibrational properties and bonding nature of Sb2Se3 and their implications for chalcogenide materials

(2015) Volker L. Deringer et al.   Chemical Science

Microscopic origin of MXenes derived from layered MAX phases

(2015) Zhonglu Guo et al.   RSC Advances

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

(2014) Yu Xie et al.   ACS Nano

Synthesis and characterization of two-dimensional Nb4C3 (MXene)

(2014) M. Ghidiu et al.   CHEMICAL COMMUNICATIONS

Zirconium metal-based MAX phases Zr2AC (A = Al, Si, P and S): A first-principles study

(2014) M. T. Nasir et al.   INTERNATIONAL JOURNAL OF MODERN PHYSICS B

Electrostatically Controlled Swelling and Adsorption of Polyelectrolyte Brush-Grafted Nanoparticles to the Solid/Liquid Interface

(2014) John K. Riley et al.   LANGMUIR

Tuning the Electrochemical Swelling of Polyelectrolyte Multilayers toward Nanoactuation

(2014) Raphael Zahn et al.   LANGMUIR

A genomic approach to the stability, elastic, and electronic properties of the MAX phases

(2014) Sitaram Aryal et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

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

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

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

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

Anisometric charge dependent swelling of porous carbon in an ionic liquid

(2013) F. Kaasik et al.   ELECTROCHEMISTRY COMMUNICATIONS

Analytic projection from plane-wave and PAW wavefunctions and application to chemical-bonding analysis in solids

(2013) Stefan Maintz et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

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

First-principles study of the lattice dynamics of Sb2S3

(2013) Yun Liu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

Electronic structure and optical conductivities of 20 MAX-phase compounds

(2012) Yuxiang Mo et al.   PHYSICAL REVIEW B

Two-Dimensional Nanocrystals Produced by Exfoliation of Ti3AlC2

(2011) Michael Naguib et al.   ADVANCED MATERIALS

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

(2011) Z M Sun   INTERNATIONAL MATERIALS REVIEWS

Crystal Orbital Hamilton Population (COHP) Analysis As Projected from Plane-Wave Basis Sets

(2011) Volker L. Deringer et al.   JOURNAL OF PHYSICAL CHEMISTRY A

From Molecular Vibrations to Bonding, Chemical Reactions, and Reaction Mechanism

(2010) Dieter Cremer et al.   CURRENT ORGANIC CHEMISTRY

Modeling Direct Exfoliation of Nanoscale Graphene Platelets

(2010) Olga V. Pupysheva et al.   Journal of Physical Chemistry C

(Ti0.5Nb0.5)5AlC4: A New-Layered Compound Belonging to MAX Phases

(2010) Liya Zheng et al.   JOURNAL OF THE AMERICAN CERAMIC SOCIETY

Stability trends ofMAXphases from first principles

(2010) M. Dahlqvist et al.   PHYSICAL REVIEW B

Theoretical study of the structural, elastic, electronic and thermal properties of the MAX phase Nb2SiC

(2010) M.A. Ghebouli et al.   SOLID STATE COMMUNICATIONS

Recent Progress in Theoretical Prediction, Preparation, and Characterization of Layered Ternary Transition-Metal Carbides

(2009) Jingyang Wang et al.   Annual Review of Materials Research

How strong is it? The interpretation of force and compliance constants as bond strength descriptors

(2008) Kai Brandhorst et al.   CHEMICAL SOCIETY REVIEWS

Molecular Single-Bond Covalent Radii for Elements 1-118

(2008) Pekka Pyykkö et al.   CHEMISTRY-A EUROPEAN JOURNAL

First-principles calculations of the ferroelastic transition between rutile-type andCaCl2-typeSiO2at high pressures

(2008) Atsushi Togo et al.   PHYSICAL REVIEW B