Stacking effects on the electronic and optical properties of bilayer transition metal dichalcogenidesMoS2,MoSe2,WS2, andWSe2

Tunable Photoluminescence of Monolayer MoS2 via Chemical Doping

(2013) Shinichiro Mouri et al.   NANO LETTERS

Origin of Indirect Optical Transitions in Few-Layer MoS2, WS2, and WSe2

(2013) Weijie Zhao et al.   NANO LETTERS

Local Strain Engineering in Atomically Thin MoS2

(2013) Andres Castellanos-Gomez et al.   NANO LETTERS

Electronic Structural Moiré Pattern Effects on MoS2/MoSe2 2D Heterostructures

(2013) Jun Kang et al.   NANO LETTERS

Grains and grain boundaries in highly crystalline monolayer molybdenum disulphide

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

Quasiparticle band structures and optical properties of strained monolayer MoS2and WS2

(2013) Hongliang Shi et al.   PHYSICAL REVIEW B

Tkatchenko-Scheffler van der Waals correction method with and without self-consistent screening applied to solids

(2013) Tomáš Bučko et al.   PHYSICAL REVIEW B

Effect of spin-orbit interaction on the optical spectra of single-layer, double-layer, and bulk MoS2

(2013) Alejandro Molina-Sánchez et al.   PHYSICAL REVIEW B

Optical Spectrum ofMoS2: Many-Body Effects and Diversity of Exciton States

(2013) Diana Y. Qiu et al.   PHYSICAL REVIEW LETTERS

Direct Measurement of the Thickness-Dependent Electronic Band Structure ofMoS2Using Angle-Resolved Photoemission Spectroscopy

(2013) Wencan Jin et al.   PHYSICAL REVIEW LETTERS

Stacking in Bulk and Bilayer Hexagonal Boron Nitride

(2013) Gabriel Constantinescu et al.   PHYSICAL REVIEW LETTERS

Evaluation of hexagonal boron nitride nano-sheets as a lubricant additive in water

(2013) Dae-Hyun Cho et al.   WEAR

Electric-Field Screening in Atomically Thin Layers of MoS2: the Role of Interlayer Coupling

(2012) Andres Castellanos-Gomez et al.   ADVANCED MATERIALS

Assessment of ten DFT methods in predicting structures of sheet silicates: Importance of dispersion corrections

(2012) Daniel Tunega et al.   JOURNAL OF CHEMICAL PHYSICS

Perspective: Advances and challenges in treating van der Waals dispersion forces in density functional theory

(2012) Jiří Klimeš et al.   JOURNAL OF CHEMICAL PHYSICS

Are we van der Waals ready?

(2012) T Björkman et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Maximally localized Wannier functions in LaMnO3within PBE +U, hybrid functionals and partially self-consistent GW: an efficient route to constructab initiotight-binding parameters for egperovskites

(2012) C Franchini et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Control of valley polarization in monolayer MoS2 by optical helicity

(2012) Kin Fai Mak et al.   Nature Nanotechnology

Electronics and optoelectronics of two-dimensional transition metal dichalcogenides

(2012) Qing Hua Wang et al.   Nature Nanotechnology

Effects of confinement and environment on the electronic structure and exciton binding energy of MoS2from first principles

(2012) Hannu-Pekka Komsa et al.   PHYSICAL REVIEW B

Thickness and strain effects on electronic structures of transition metal dichalcogenides: 2H-MX2semiconductors (M=Mo, W;X=S, Se, Te)

(2012) Won Seok Yun et al.   PHYSICAL REVIEW B

Large excitonic effects in monolayers of molybdenum and tungsten dichalcogenides

(2012) Ashwin Ramasubramaniam   PHYSICAL REVIEW B

Quasiparticle band structure calculation of monolayer, bilayer, and bulk MoS2

(2012) Tawinan Cheiwchanchamnangij et al.   PHYSICAL REVIEW B

van der Waals Bonding in Layered Compounds from Advanced Density-Functional First-Principles Calculations

(2012) T. Björkman et al.   PHYSICAL REVIEW LETTERS

Field-Effect Tunneling Transistor Based on Vertical Graphene Heterostructures

(2012) L. Britnell et al.   SCIENCE

The indirect to direct band gap transition in multilayered MoS2 as predicted by screened hybrid density functional theory

(2011) Jason K. Ellis et al.   APPLIED PHYSICS LETTERS

The Structure of Layered Covalent-Organic Frameworks

(2011) Binit Lukose et al.   CHEMISTRY-A EUROPEAN JOURNAL

Single-layer MoS2 transistors

(2011) B. Radisavljevic et al.   Nature Nanotechnology

Band-gap transition induced by interlayer van der Waals interaction in MoS2

(2011) S. W. Han et al.   PHYSICAL REVIEW B

Graphene on Ni(111): Strong interaction and weak adsorption

(2011) F. Mittendorfer et al.   PHYSICAL REVIEW B

Influence of quantum confinement on the electronic structure of the transition metal sulfideTS2

(2011) A. Kuc et al.   PHYSICAL REVIEW B

Phonons in single-layer and few-layer MoS2and WS2

(2011) A. Molina-Sánchez et al.   PHYSICAL REVIEW B

Tunable band gaps in bilayer transition-metal dichalcogenides

(2011) Ashwin Ramasubramaniam et al.   PHYSICAL REVIEW B

Van der Waals density functionals applied to solids

(2011) Jiří Klimeš et al.   PHYSICAL REVIEW B

Dispersive and Covalent Interactions between Graphene and Metal Surfaces from the Random Phase Approximation

(2011) Thomas Olsen et al.   PHYSICAL REVIEW LETTERS

Two-Dimensional Nanosheets Produced by Liquid Exfoliation of Layered Materials

(2011) J. N. Coleman et al.   SCIENCE

Anomalous Lattice Vibrations of Single- and Few-Layer MoS2

(2010) Changgu Lee et al.   ACS Nano

Improved Description of the Structure of Molecular and Layered Crystals: Ab Initio DFT Calculations with van der Waals Corrections

(2010) Tomáš Bučko et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Emerging Photoluminescence in Monolayer MoS2

(2010) Andrea Splendiani et al.   NANO LETTERS

Assessing the quality of the random phase approximation for lattice constants and atomization energies of solids

(2010) Judith Harl et al.   PHYSICAL REVIEW B

Stacking and Registry Effects in Layered Materials: The Case of Hexagonal Boron Nitride

(2010) Noa Marom et al.   PHYSICAL REVIEW LETTERS

Cohesive Properties and Asymptotics of the Dispersion Interaction in Graphite by the Random Phase Approximation

(2010) S. Lebègue et al.   PHYSICAL REVIEW LETTERS

Atomically ThinMoS2: A New Direct-Gap Semiconductor

(2010) Kin Fai Mak et al.   PHYSICAL REVIEW LETTERS

Colloquium: Topological insulators

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

Morphological effect of MoS2 nanoparticles on catalytic oxidation and vacuum lubrication

(2009) Kun Hong Hu et al.   APPLIED SURFACE SCIENCE

Electronic structure of two-dimensional crystals fromab initiotheory

(2009) S. Lebègue et al.   PHYSICAL REVIEW B

Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data

(2009) Alexandre Tkatchenko et al.   PHYSICAL REVIEW LETTERS

Graphene: Status and Prospects

(2009) A. K. Geim   SCIENCE

Periodic local MP2 method for the study of electronic correlation in crystals: Theory and preliminary applications

(2008) Cesare Pisani et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

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

(2008) Atsushi Togo et al.   PHYSICAL REVIEW B

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces

(2008) John P. Perdew et al.   PHYSICAL REVIEW LETTERS

wannier90: A tool for obtaining maximally-localised Wannier functions

(2007) Arash A. Mostofi et al.   COMPUTER PHYSICS COMMUNICATIONS