Computational Discovery, Characterization, and Design of Single-Layer Materials

Computational prediction and characterization of single-layer CrS2

(2014) Houlong L. Zhuang et al.   APPLIED PHYSICS LETTERS

Progress, Challenges, and Opportunities in Two-Dimensional Materials Beyond Graphene

(2013) Sheneve Z. Butler et al.   ACS Nano

Computational identification of single-layer CdO for electronic and optical applications

(2013) Houlong L. Zhuang et al.   APPLIED PHYSICS LETTERS

Graphene-Like Two-Dimensional Materials

(2013) Mingsheng Xu et al.   CHEMICAL REVIEWS

Single-Layer Group-III Monochalcogenide Photocatalysts for Water Splitting

(2013) Houlong L. Zhuang et al.   CHEMISTRY OF MATERIALS

Computational Search for Single-Layer Transition-Metal Dichalcogenide Photocatalysts

(2013) Houlong L. Zhuang et al.   Journal of Physical Chemistry C

Production and processing of graphene and 2d crystals

(2013) Francesco Bonaccorso et al.   Materials Today

Van der Waals heterostructures

(2013) A. K. Geim et al.   NATURE

The chemistry of two-dimensional layered transition metal dichalcogenide nanosheets

(2013) Manish Chhowalla et al.   Nature Chemistry

Interface-induced superconductivity and strain-dependent spin density waves in FeSe/SrTiO3 thin films

(2013) Shiyong Tan et al.   NATURE MATERIALS

Mobility engineering and a metal–insulator transition in monolayer MoS2

(2013) Branimir Radisavljevic et al.   NATURE MATERIALS

Measurement of mobility in dual-gated MoS2 transistors

(2013) Michael S. Fuhrer et al.   Nature Nanotechnology

Theoretical perspective of photocatalytic properties of single-layer SnS2

(2013) Houlong L. Zhuang et al.   PHYSICAL REVIEW B

Scaling relation for thermal ripples in single and multilayer graphene

(2013) Arunima K. Singh et al.   PHYSICAL REVIEW B

Structures, phase stabilities, and electrical potentials of Li-Si battery anode materials

(2013) William W. Tipton et al.   PHYSICAL REVIEW B

Computational discovery of single-layer III-V materials

(2013) Houlong L. Zhuang et al.   PHYSICAL REVIEW B

Strong Light-Matter Interactions in Heterostructures of Atomically Thin Films

(2013) L. Britnell et al.   SCIENCE

Liquid Exfoliation of Layered Materials

(2013) V. Nicolosi et al.   SCIENCE

All-Surface-Atomic-Metal Chalcogenide Sheets for High-Efficiency Visible-Light Photoelectrochemical Water Splitting

(2013) Yongfu Sun et al.   Advanced Energy Materials

Polycrystallinity and Stacking in CVD Graphene

(2012) Adam W. Tsen et al.   ACCOUNTS OF CHEMICAL RESEARCH

van der Waals Epitaxial Growth of Graphene on Sapphire by Chemical Vapor Deposition without a Metal Catalyst

(2012) Jeonghyun Hwang et al.   ACS Nano

Freestanding Tin Disulfide Single-Layers Realizing Efficient Visible-Light Water Splitting

(2012) Yongfu Sun et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Electronic structures of single-layer boron pnictides

(2012) Houlong L. Zhuang et al.   APPLIED PHYSICS LETTERS

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

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

Vertically Aligned Graphene-Like SnS2 Ultrathin Nanosheet Arrays: Excellent Energy Storage, Catalysis, Photoconduction, and Field-Emitting Performances

(2012) Haoxiang Zhong et al.   Journal of Physical Chemistry C

Stable, Single-Layer MX2 Transition-Metal Oxides and Dichalcogenides in a Honeycomb-Like Structure

(2012) C. Ataca et al.   Journal of Physical Chemistry C

Intrinsic Piezoelectricity in Two-Dimensional Materials

(2012) Karel-Alexander N. Duerloo et al.   Journal of Physical Chemistry Letters

Atomically Thick Bismuth Selenide Freestanding Single Layers Achieving Enhanced Thermoelectric Energy Harvesting

(2012) Yongfu Sun et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Graphene-based materials for energy applications

(2012) Jun Liu et al.   MRS BULLETIN

Electronics and optoelectronics of two-dimensional transition metal dichalcogenides

(2012) Qing Hua Wang et al.   Nature Nanotechnology

Optical and energy-loss spectra of the antiferromagnetic transition metal oxides MnO, FeO, CoO, and NiO including quasiparticle and excitonic effects

(2012) Claudia Rödl et al.   PHYSICAL REVIEW B

Phonon-limited mobility inn-type single-layer MoS2from first principles

(2012) Kristen Kaasbjerg et al.   PHYSICAL REVIEW B

First-Principles Optical Spectra forFCenters in MgO

(2012) Patrick Rinke et al.   PHYSICAL REVIEW LETTERS

Silicene: Compelling Experimental Evidence for Graphenelike Two-Dimensional Silicon

(2012) Patrick Vogt et al.   PHYSICAL REVIEW LETTERS

Dislocation-Driven Deformations in Graphene

(2012) J. H. Warner et al.   SCIENCE

Field-Effect Tunneling Transistor Based on Vertical Graphene Heterostructures

(2012) L. Britnell et al.   SCIENCE

Mechanical Exfoliation and Characterization of Single- and Few-Layer Nanosheets of WSe2, TaS2, and TaSe2

(2012) Hai Li et al.   Small

Stretching and Breaking of Ultrathin MoS2

(2011) Simone Bertolazzi et al.   ACS Nano

Graphene based new energy materials

(2011) Yiqing Sun et al.   Energy & Environmental Science

Ripples and Layers in Ultrathin MoS2Membranes

(2011) Jacopo Brivio et al.   NANO LETTERS

Softened Elastic Response and Unzipping in Chemical Vapor Deposition Graphene Membranes

(2011) Carlos S. Ruiz-Vargas et al.   NANO LETTERS

How Good Can Monolayer MoS2Transistors Be?

(2011) Youngki Yoon et al.   NANO LETTERS

Grains and grain boundaries in single-layer graphene atomic patchwork quilts

(2011) Pinshane Y. Huang et al.   NATURE

Single-layer MoS2 transistors

(2011) B. Radisavljevic et al.   Nature Nanotechnology

Epitaxial Graphene Growth by Carbon Molecular Beam Epitaxy (CMBE)

(2010) Jeongho Park et al.   ADVANCED MATERIALS

Chemical doping of graphene

(2010) Hongtao Liu et al.   JOURNAL OF MATERIALS CHEMISTRY

2D materials: to graphene and beyond

(2010) Rubén Mas-Ballesté et al.   Nanoscale

Charge transport in organic crystals: Theory and modelling

(2010) Frank Ortmann et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Plasticity in carbon nanotubes: Cooperative conservative dislocation motion

(2010) Shuo Chen et al.   PHYSICAL REVIEW B

Topological defects in graphene: Dislocations and grain boundaries

(2010) Oleg V. Yazyev et al.   PHYSICAL REVIEW B

Atomically ThinMoS2: A New Direct-Gap Semiconductor

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

Supercapacitor Devices Based on Graphene Materials

(2009) Yan Wang et al.   Journal of Physical Chemistry C

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

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

Atomically thin hexagonal boron nitride probed by ultrahigh-resolution transmission electron microscopy

(2009) Nasim Alem et al.   PHYSICAL REVIEW B

Monolayer honeycomb structures of group-IV elements and III-V binary compounds: First-principles calculations

(2009) H. Şahin et al.   PHYSICAL REVIEW B

Two- and One-Dimensional Honeycomb Structures of Silicon and Germanium

(2009) S. Cahangirov et al.   PHYSICAL REVIEW LETTERS

The electronic properties of graphene

(2009) A. H. Castro Neto et al.   REVIEWS OF MODERN PHYSICS

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