Graphene-hexagonal boron nitride van der Waals heterostructures: an examination of the effects of different van der Waals corrections

Two-dimensional heterostructures based on graphene and transition metal dichalcogenides: synthesis, transfer and applications

(2019) Qian Lv et al.   CARBON

Methane adsorption on strained 1T′-MoS2 monolayer: insights from density functional theory calculations

(2019) Alexandra B Santos-Putungan et al.   Materials Research Express

On the hydrogen evolution reaction activity of graphene–hBN van der Waals heterostructures

(2018) Sumit Bawari et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A look into atomic carbon and oxygen adsorption on 1T′-MoS2 monolayer: density functional theory calculations

(2017) Darwin Barayang Putungan et al.   Materials Research Express

First-principles study of two-dimensional van der Waals heterojunctions

(2016) Wei Hu et al.   COMPUTATIONAL MATERIALS SCIENCE

Gaps induced by inversion symmetry breaking and second-generation Dirac cones in graphene/hexagonal boron nitride

(2016) Eryin Wang et al.   Nature Physics

2D materials and van der Waals heterostructures

(2016) K. S. Novoselov et al.   SCIENCE

First-Principles Study on Graphene/Hexagonal Boron Nitride Heterostructures

(2015) Yuki Sakai et al.   JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN

van der Waals bilayer energetics: Generalized stacking-fault energy of graphene, boron nitride, and graphene/boron nitride bilayers

(2015) Songsong Zhou et al.   PHYSICAL REVIEW B

van der Waals Heterostructure of Phosphorene and Graphene: Tuning the Schottky Barrier and Doping by Electrostatic Gating

(2015) J. E. Padilha et al.   PHYSICAL REVIEW LETTERS

Origin of band gaps in graphene on hexagonal boron nitride

(2015) Jeil Jung et al.   Nature Communications

Spintronics with graphene-hexagonal boron nitride van der Waals heterostructures

(2014) M. Venkata Kamalakar et al.   APPLIED PHYSICS LETTERS

Highly confined low-loss plasmons in graphene–boron nitride heterostructures

(2014) Achim Woessner et al.   NATURE MATERIALS

Photoinduced doping in heterostructures of graphene and boron nitride

(2014) L. Ju et al.   Nature Nanotechnology

Band gaps in incommensurable graphene on hexagonal boron nitride

(2014) Menno Bokdam et al.   PHYSICAL REVIEW B

Spontaneous strains and gap in graphene on boron nitride

(2014) Pablo San-Jose et al.   PHYSICAL REVIEW B

Phonon transport on two-dimensional graphene/boron nitride superlattices

(2014) Taishan Zhu et al.   PHYSICAL REVIEW B

Structural and elastic properties of hybrid bilayer graphene/h-BN with different interlayer distances using DFT

(2014) R. Ansari et al.   SUPERLATTICES AND MICROSTRUCTURES

Observation of an intrinsic bandgap and Landau level renormalization in graphene/boron-nitride heterostructures

(2014) Zhi-Guo Chen et al.   Nature Communications

Electronic states in hybrid boron nitride and graphene structures

(2013) M. Zhao et al.   JOURNAL OF APPLIED PHYSICS

Nanoscale Dielectric Capacitors Composed of Graphene and Boron Nitride Layers: A First-Principles Study of High Capacitance at Nanoscale

(2013) V. Ongun Özçelik et al.   Journal of Physical Chemistry C

Physisorption of DNA Nucleobases on h-BN and Graphene: vdW-Corrected DFT Calculations

(2013) Jun-Ho Lee et al.   Journal of Physical Chemistry C

Massive Dirac Fermions and Hofstadter Butterfly in a van der Waals Heterostructure

(2013) B. Hunt et al.   SCIENCE

Al-doped graphene-like BN nanosheet as a sensor for para-nitrophenol: DFT study

(2013) Ali Ahmadi Peyghan et al.   SUPERLATTICES AND MICROSTRUCTURES

Enhanced nucleation of Al islands on H-dosed Si(100)-2×1 surface: A combined density functional theory and kinetic Monte Carlo study

(2013) Marvin A. Albao et al.   SURFACE SCIENCE

Effect of electric field on the band structure of graphene/boron nitride and boron nitride/boron nitride bilayers

(2012) Radhakrishnan Balu et al.   APPLIED PHYSICS LETTERS

Why the Band Gap of Graphene Is Tunable on Hexagonal Boron Nitride

(2012) Erjun Kan et al.   Journal of Physical Chemistry C

Ab initioand semi-empirical van der Waals study of graphene–boron nitride interaction from a molecular point of view

(2012) Vasile Caciuc et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Cross-sectional imaging of individual layers and buried interfaces of graphene-based heterostructures and superlattices

(2012) S. J. Haigh et al.   NATURE MATERIALS

Enhanced thermoelectric properties in hybrid graphene/boron nitride nanoribbons

(2012) Kaike Yang et al.   PHYSICAL REVIEW B

Density functional theory studies of interactions of graphene with its environment: Substrate, gate dielectric and edge effects

(2012) Priyamvada Jadaun et al.   SOLID STATE COMMUNICATIONS

Tunable electronic structures of graphene/boron nitride heterobilayers

(2011) Yingcai Fan et al.   APPLIED PHYSICS LETTERS

MODELING OF CO-DEPOSITION OF INDIUM AND TIN ON SILICON(100): A KINETIC MONTE CARLO STUDY

(2011) DARWIN B. PUTUNGAN et al.   INTERNATIONAL JOURNAL OF MODERN PHYSICS B

Graphene on Ni(111): Coexistence of Different Surface Structures

(2011) Wei Zhao et al.   Journal of Physical Chemistry Letters

Quasiparticle Band Gap Engineering of Graphene and Graphone on Hexagonal Boron Nitride Substrate

(2011) Neerav Kharche et al.   NANO LETTERS

Tunable Band Gaps in Bilayer Graphene−BN Heterostructures

(2011) Ashwin Ramasubramaniam et al.   NANO LETTERS

Adhesion and electronic structure of graphene on hexagonal boron nitride substrates

(2011) B. Sachs et al.   PHYSICAL REVIEW B

Van der Waals density functionals applied to solids

(2011) Jiří Klimeš et al.   PHYSICAL REVIEW B

Nonlocal Screening of Plasmons in Graphene by Semiconducting and Metallic Substrates: First-Principles Calculations

(2011) Jun Yan et al.   PHYSICAL REVIEW LETTERS

Hunting for Monolayer Boron Nitride: Optical and Raman Signatures

(2011) Roman V. Gorbachev et al.   Small

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Graphene nanomesh

(2010) Jingwei Bai et al.   Nature Nanotechnology

Energy gap tuning in graphene on hexagonal boron nitride bilayer system

(2010) J. Sławińska et al.   PHYSICAL REVIEW B

Higher-accuracy van der Waals density functional

(2010) Kyuho Lee et al.   PHYSICAL REVIEW B

Band Engineering and Magnetic Doping of Epitaxial Graphene on SiC (0001)

(2010) Thushari Jayasekera et al.   PHYSICAL REVIEW LETTERS

Bandgap engineering of graphene: A density functional theory study

(2009) Lei Liu et al.   APPLIED PHYSICS LETTERS

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Chemical accuracy for the van der Waals density functional

(2009) Jiří Klimeš et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

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