Mechanical behaviors of titanium nitride and carbide MXenes: A molecular dynamics study

Ultrahigh thermal conductivity and strength in direct-gap semiconducting graphene-like BC6N: A first-principles and classical investigation

(2021) Bohayra Mortazavi   CARBON

The world of two-dimensional carbides and nitrides (MXenes)

(2021) Armin VahidMohammadi et al.   SCIENCE

Thermal conductivity of graphene polymorphs and compounds: From C3N to graphdiyne lattices

(2020) S. Milad Hatam-Lee et al.   CARBON

Tuning shear mechanical properties and tensile strength anisotropy of monolayer black phosphorene: A molecular dynamics study

(2020) S. Milad Hatam-Lee et al.   Materials Today Communications

Metallic Ti3C2Tx MXene Gas Sensors with Ultrahigh Signal-to-Noise Ratio

(2018) Seon Joon Kim et al.   ACS Nano

Superior structural, elastic and electronic properties of 2D titanium nitride MXenes over carbide MXenes: a comprehensive first principles study

(2018) Ning Zhang et al.   2D Materials

Elastic properties of 2D Ti3C2TxMXene monolayers and bilayers

(2018) Alexey Lipatov et al.   Science Advances

N-, P-, As-triphenylene-graphdiyne: Strong and stable 2D semiconductors with outstanding capacities as anodes for Li-ion batteries

(2018) Bohayra Mortazavi et al.   CARBON

2D titanium carbide (MXene) for wireless communication

(2018) Asia Sarycheva et al.   Science Advances

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

Vanishing Schottky Barriers in Blue Phosphorene/MXene Heterojunctions

(2017) Hefei Wang et al.   Journal of Physical Chemistry C

Ti2CO2 MXene: a highly active and selective photocatalyst for CO2 reduction

(2017) Xu Zhang et al.   Journal of Materials Chemistry A

Thermal conductivity and mechanical properties of nitrogenated holey graphene

(2016) Bohayra Mortazavi et al.   CARBON

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

Synthesis of two-dimensional titanium nitride Ti4N3(MXene)

(2016) Patrick Urbankowski et al.   Nanoscale

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

(2016) F. Shahzad et al.   SCIENCE

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

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

Simulation of the Elastic and Ultimate Tensile Properties of Diamond, Graphene, Carbon Nanotubes, and Amorphous Carbon Using a Revised ReaxFF Parametrization

(2015) Benjamin D. Jensen et al.   JOURNAL OF PHYSICAL CHEMISTRY A

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

(2015) Vadym N Borysiuk et al.   NANOTECHNOLOGY

Characterization and manipulation of individual defects in insulating hexagonal boron nitride using scanning tunnelling microscopy

(2015) Dillon Wong et al.   Nature Nanotechnology

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

Exploring atomic defects in molybdenum disulphide monolayers

(2015) Jinhua Hong et al.   Nature Communications

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

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

Two-Dimensional Mono-Elemental Semiconductor with Electronically Inactive Defects: The Case of Phosphorus

(2014) Yuanyue Liu et al.   NANO LETTERS

First-principles study on structural, electronic and elastic properties of graphene-like hexagonal Ti2C monolayer

(2013) Shun Wang et al.   COMPUTATIONAL MATERIALS SCIENCE

Classical atomistic simulations of surfaces and heterogeneous interfaces with the charge-optimized many body (COMB) potentials

(2013) Tao Liang et al.   MATERIALS SCIENCE & ENGINEERING R-REPORTS

Intrinsic Structural Defects in Monolayer Molybdenum Disulfide

(2013) Wu Zhou et al.   NANO LETTERS

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

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

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

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

Structural Defects in Graphene

(2010) Florian Banhart et al.   ACS Nano

Stability trends ofMAXphases from first principles

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

Internal lattice relaxation of single-layer graphene under in-plane deformation

(2007) J ZHOU et al.   JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS

Effect of oxidation on elastic modulus of C/C–SiC composites

(2007) S. Singh et al.   MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING