Mechanical response of all-MoS2 single-layer heterostructures: a ReaxFF investigation

Effect of Metal Ion Intercalation on the Structure of MXene and Water Dynamics on its Internal Surfaces

(2016) Naresh C. Osti et al.   ACS Applied Materials & Interfaces

Atomistic-scale simulations of the chemomechanical behavior of graphene under nanoprojectile impact

(2016) Kichul Yoon et al.   CARBON

Multiscale modeling of heat conduction in graphene laminates

(2015) Bohayra Mortazavi et al.   CARBON

Metallic 1T phase MoS2 nanosheets as supercapacitor electrode materials

(2015) Muharrem Acerce et al.   Nature Nanotechnology

ReaxFF molecular dynamics simulations on lithiated sulfur cathode materials

(2015) Md Mahbubul Islam et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Stress effects on the initial lithiation of crystalline silicon nanowires: reactive molecular dynamics simulations using ReaxFF

(2015) Alireza Ostadhossein et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

First-principles theory of field-effect doping in transition-metal dichalcogenides: Structural properties, electronic structure, Hall coefficient, and electrical conductivity

(2015) Thomas Brumme et al.   PHYSICAL REVIEW B

Structural, mechanical and electronic properties of in-plane 1T/2H phase interface of MoS2 heterostructures

(2015) Xiaoyan Guo et al.   AIP Advances

Optics, Mechanics, and Energetics of Two-Dimensional MoS2 Nanostructures from a Theoretical Perspective

(2014) Jan-Ole Joswig et al.   ACCOUNTS OF CHEMICAL RESEARCH

Effect of point and grain boundary defects on the mechanical behavior of monolayer MoS2 under tension via atomistic simulations

(2014) Khanh Q. Dang et al.   JOURNAL OF APPLIED PHYSICS

Atomic mechanism of the semiconducting-to-metallic phase transition in single-layered MoS2

(2014) Yung-Chang Lin et al.   Nature Nanotechnology

Chemically exfoliated single-layerMoS2: Stability, lattice dynamics, and catalytic adsorption from first principles

(2014) Matteo Calandra   PHYSICAL REVIEW B

Stretching and breaking of monolayer MoS2—an atomistic simulation

(2014) Tommy Lorenz et al.   2D Materials

Temperature-dependent mechanical properties of single-layer molybdenum disulphide: Molecular dynamics nanoindentation simulations

(2013) Junhua Zhao et al.   APPLIED PHYSICS LETTERS

Thermal conductivity of ZnTe nanowires

(2013) Keivan Davami et al.   JOURNAL OF APPLIED PHYSICS

Bonding Charge Density and Ultimate Strength of Monolayer Transition Metal Dichalcogenides

(2013) Junwen Li et al.   Journal of Physical Chemistry C

Intrinsic Structural Defects in Monolayer Molybdenum Disulfide

(2013) Wu Zhou et al.   NANO LETTERS

Grains and grain boundaries in highly crystalline monolayer molybdenum disulphide

(2013) Arend M. van der Zande et al.   NATURE MATERIALS

Vapour phase growth and grain boundary structure of molybdenum disulphide atomic layers

(2013) Sina Najmaei et al.   NATURE MATERIALS

Electronics and optoelectronics of two-dimensional transition metal dichalcogenides

(2012) Qing Hua Wang et al.   Nature Nanotechnology

Mechanical properties of freely suspended semiconducting graphene-like layers based on MoS2

(2012) Andres Castellanos-Gomez et al.   Nanoscale Research Letters

Stretching and Breaking of Ultrathin MoS2

(2011) Simone Bertolazzi et al.   ACS Nano

A Comparative Study of Lattice Dynamics of Three- and Two-Dimensional MoS2

(2011) C. Ataca et al.   Journal of Physical Chemistry C

Single-layer MoS2 transistors

(2011) B. Radisavljevic et al.   Nature Nanotechnology

Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool

(2009) Alexander Stukowski   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Superior Thermal Conductivity of Single-Layer Graphene

(2008) Alexander A. Balandin et al.   NANO LETTERS

Measurement of the Elastic Properties and Intrinsic Strength of Monolayer Graphene

(2008) C. Lee et al.   SCIENCE