Standout Papers
Citation Impact
Citing Papers
Negligible Effect of Ions on the Hydrogen-Bond Structure in Liquid Water
2003 Science
Excitons in atomically thin 2D semiconductors and their applications
2017
Composition-dependent Raman modes of Mo1−xWxS2 monolayer alloys
2013
Two-dimensional transition metal dichalcogenides as atomically thin semiconductors: opportunities and challenges
2015
Determination of band alignment in the single-layer MoS2/WSe2 heterojunction
2015
Valley-selective circular dichroism of monolayer molybdenum disulphide
2012 Standout
Probing excitonic states in suspended two-dimensional semiconductors by photocurrent spectroscopy
2014
Electric-field-induced strong enhancement of electroluminescence in multilayer molybdenum disulfide
2015
Expansive discovery of chemically diverse structured macrocyclic oligoamides
2024 StandoutScienceNobel
Coulomb engineering of the bandgap and excitons in two-dimensional materials
2017 StandoutNobel
Chemical vapour deposition of group-VIB metal dichalcogenide monolayers: engineered substrates from amorphous to single crystalline
2014
The role of momentum-dark excitons in the elementary optical response of bilayer WSe2
2018
Identification of individual and few layers of WS2 using Raman Spectroscopy
2013
Exploring atomic defects in molybdenum disulphide monolayers
2015
A photofunctional bottom-up bis(dipyrrinato)zinc(II) complex nanosheet
2015
Momentum-Resolved View of Electron-Phonon Coupling in Multilayer WSe 2
2017
Theory of diamondlike amorphous carbon
1994
Atomically Thin MoS 2 : A New Direct-Gap Semiconductor
2010 Standout
Valley polarization in MoS2 monolayers by optical pumping
2012 Standout
Ultrasensitive photodetectors based on monolayer MoS2
2013 Standout
Tightly bound trions in monolayer MoS2
2012 Standout
Synthesis of Large‐Area MoS2 Atomic Layers with Chemical Vapor Deposition
2012 Standout
Electrical Tuning of Exciton Binding Energies in MonolayerWS 2
2015
Monolayer behaviour in bulk ReS2 due to electronic and vibrational decoupling
2014
Single‐Layer Semiconducting Nanosheets: High‐Yield Preparation and Device Fabrication
2011 Standout
Large‐Scale Exfoliation of Inorganic Layered Compounds in Aqueous Surfactant Solutions
2011
Electronic and magnetic properties of perfect, vacancy-doped, and nonmetal adsorbed MoSe2, MoTe2 and WS2 monolayers
2011
Metal dichalcogenide nanosheets: preparation, properties and applications
2013 Standout
Irritant-evoked activation and calcium modulation of the TRPA1 receptor
2020 StandoutNatureNobel
Transformation of spin information into large electrical signals using carbon nanotubes
2007 StandoutNatureNobel
Mobility engineering and a metal–insulator transition in monolayer MoS2
2013 Standout
Stable electrical performance observed in large-scale monolayer WSe2(1−x)S2xwith tunable band gap
2016
MoS2 Nanosheet Phototransistors with Thickness-Modulated Optical Energy Gap
2012
Visualization and quantification of transition metal atomic mixing in Mo1−xWxS2 single layers
2013
Single-layer MoS2 transistors
2011 Standout
Raman Spectrum of Graphene and Graphene Layers
2006 StandoutNobel
Wafer-scale MoS2 thin layers prepared by MoO3 sulfurization
2012
The chemistry of two-dimensional layered transition metal dichalcogenide nanosheets
2013 Standout
Solvatochromic Effect on the Photoluminescence of MoS2 Monolayers
2013
Graphene‐Based Electrodes
2012
Tightly Bound Excitons in MonolayerWSe 2
2014
Enhanced catalytic activity in strained chemically exfoliated WS2 nanosheets for hydrogen evolution
2013 Standout
C-terminal Acidic Cluster Is Involved in Ca2+-induced Regulation of Human Transient Receptor Potential Ankyrin 1 Channel
2012
Few-layer molybdenum disulfide transistors and circuits for high-speed flexible electronics
2014
Direct observation of the transition from indirect to direct bandgap in atomically thin epitaxial MoSe2
2013
Chirality-specific growth of single-walled carbon nanotubes on solid alloy catalysts
2014 Nature
Probing excitonic dark states in single-layer tungsten disulphide
2014 Nature
Formation of nanodiamonds at near-ambient conditions via microplasma dissociation of ethanol vapour
2013
Density functional theory for transition metals and transition metal chemistry
2009
Optical generation of excitonic valley coherence in monolayer WSe2
2013
Thermal properties of graphene and nanostructured carbon materials
2011 Standout
Excitonic linewidth and coherence lifetime in monolayer transition metal dichalcogenides
2016
Equally Efficient Interlayer Exciton Relaxation and Improved Absorption in Epitaxial and Nonepitaxial MoS2/WS2 Heterostructures
2014
Fabrication of Flexible MoS2 Thin‐Film Transistor Arrays for Practical Gas‐Sensing Applications
2012
Ultrafast charge transfer in atomically thin MoS2/WS2 heterostructures
2014 Standout
Lateral epitaxial growth of two-dimensional layered semiconductor heterojunctions
2014
Resonant internal quantum transitions and femtosecond radiative decay of excitons in monolayer WSe2
2015
Grains and grain boundaries in highly crystalline monolayer molybdenum disulphide
2013 Standout
Photocarrier relaxation pathway in two-dimensional semiconducting transition metal dichalcogenides
2014
Nature of the First-Order Phase Transition in Fluid Phosphorus at High Temperature and Pressure
2003
Mechanical Exfoliation and Characterization of Single‐ and Few‐Layer Nanosheets of WSe2, TaS2, and TaSe2
2012
The properties and applications of nanodiamonds
2011 Standout
Visibility of dichalcogenide nanolayers
2011
Van der Waals heterostructures
2013 StandoutNature
Electrochemically Reduced Single‐Layer MoS2 Nanosheets: Characterization, Properties, and Sensing Applications
2012
Exciton diamagnetic shifts and valley Zeeman effects in monolayer WS2 and MoS2 to 65 Tesla
2016
Atomically thin layers of MoS2via a two step thermal evaporation–exfoliation method
2011
Rediscovering black phosphorus as an anisotropic layered material for optoelectronics and electronics
2014 Standout
Covalent functionalization of monolayered transition metal dichalcogenides by phase engineering
2014
Photoluminescence emission and Raman response of monolayer MoS_2, MoSe_2, and WSe_2
2013
Vapour phase growth and grain boundary structure of molybdenum disulphide atomic layers
2013 Standout
Tailoring the Electronic Structure in Bilayer Molybdenum Disulfide via Interlayer Twist
2014
Electronics and optoelectronics of two-dimensional transition metal dichalcogenides
2012 Standout
Magnetoelectric effects and valley-controlled spin quantum gates in transition metal dichalcogenide bilayers
2013
Engineering the surface structure of MoS2 to preferentially expose active edge sites for electrocatalysis
2012 Standout
Bottom‐Up Preparation of Porous Metal‐Oxide Ultrathin Sheets with Adjustable Composition/Phases and Their Applications
2011
Fabrication of Single‐ and Multilayer MoS2 Film‐Based Field‐Effect Transistors for Sensing NO at Room Temperature
2011
High on/off ratio field effect transistors based on exfoliated crystalline SnS2nano-membranes
2012
Vapor-phase growth and characterization of Mo1−xWxS2(0 ≤ x ≤ 1) atomic layers on 2-inch sapphire substrates
2013
Coupled Spin and Valley Physics in Monolayers ofMoS 2
2012 Standout
Recent advances in transition-metal dichalcogenide based nanomaterials for water splitting
2015
Carrier and Polarization Dynamics in MonolayerMoS 2
2014
Raman Spectroscopy Study of Lattice Vibration and Crystallographic Orientation of Monolayer MoS2 under Uniaxial Strain
2013
Controlling protein assembly on inorganic crystals through designed protein interfaces
2019 StandoutNatureNobel
Exciton Binding Energy and Nonhydrogenic Rydberg Series in Monolayer WS 2
2014 Standout
High yield exfoliation of two-dimensional chalcogenides using sodium naphthalenide
2014
Electrical control of neutral and charged excitons in a monolayer semiconductor
2013
Intrinsic homogeneous linewidth and broadening mechanisms of excitons in monolayer transition metal dichalcogenides
2015
Layer-dependent ferromagnetism in a van der Waals crystal down to the monolayer limit
2017 StandoutNature
Electrochemical Tuning of MoS2 Nanoparticles on Three-Dimensional Substrate for Efficient Hydrogen Evolution
2014
New Carbon Materials: Biological Applications of Functionalized Nanodiamond Materials
2007
Large‐Area Vapor‐Phase Growth and Characterization of MoS2 Atomic Layers on a SiO2 Substrate
2012 Standout
Electrical contacts to two-dimensional semiconductors
2015
Mixed-dimensional van der Waals heterostructures
2016
Optical Identification of Single‐ and Few‐Layer MoS2 Sheets
2012
Electric‐Field Screening in Atomically Thin Layers of MoS2: the Role of Interlayer Coupling
2012
Atomically thin p–n junctions with van der Waals heterointerfaces
2014 Standout
Control of valley polarization in monolayer MoS2 by optical helicity
2012 Standout
Why nanotubes grow chiral
2014
Well-Defined Colloidal 2-D Layered Transition-Metal Chalcogenide Nanocrystals via Generalized Synthetic Protocols
2012
Large‐Area Synthesis of Continuous and Uniform MoS2 Monolayer Films on Graphene
2014
A first-order liquid–liquid phase transition in phosphorus
2000 StandoutNatureNobel
Pushing the frontiers of density functionals by solving the fractional electron problem
2021 StandoutScienceNobel
Synthesis and Optical Properties of Large‐Area Single‐Crystalline 2D Semiconductor WS2 Monolayer from Chemical Vapor Deposition
2013
Functionalization of Single-Layer MoS2 Honeycomb Structures
2011
Optical Spectrum ofMoS 2
2013
Single-Layer MoS2 Electronics
2015
Effect of Ions on the Structure of Water: Structure Making and Breaking
2009 Standout
Improved accuracy and acceleration of variational order-N
1998
Extraordinary Room-Temperature Photoluminescence in Triangular WS2 Monolayers
2012
Linear system-size scaling methods for electronic-structure calculations
1995
Screw-Dislocation-Driven Growth of Two-Dimensional Few-Layer and Pyramid-like WSe2 by Sulfur-Assisted Chemical Vapor Deposition
2014
Real-Space Approach to Calculation of Electric Polarization and Dielectric Constants
1994
Graphene and graphene-like 2D materials for optical biosensing and bioimaging: a review
2015
Magnetic ground state of semiconducting transition-metal trichalcogenide monolayers
2015
Monolayer MoS2 Films Supported by 3D Nanoporous Metals for High‐Efficiency Electrocatalytic Hydrogen Production
2014
Time-Dependent Properties of Liquid Water: A Comparison of Car−Parrinello and Born−Oppenheimer Molecular Dynamics Simulations
2006
Two-dimensional semiconductors for transistors
2016
Dielectric Engineering of Electronic Correlations in a van der Waals Heterostructure
2018
Graphene/MoS2 Hybrid Technology for Large-Scale Two-Dimensional Electronics
2014
Valley dynamics probed through charged and neutral exciton emission in monolayerWSe 2
2014
Exotic Cubic Carbon Allotropes
2012
All Chemical Vapor Deposition Growth of MoS2:h-BN Vertical van der Waals Heterostructures
2015
Environment-dependent tight-binding potential model
1996
Bonding Changes in Compressed Superhard Graphite
2003 StandoutScienceNobel
The surface and materials science of tin oxide
2005 Standout
Enhanced thermoelectric figure of merit in edge-disordered zigzag graphene nanoribbons
2010
Synthesis and Enhanced Electrochemical Catalytic Performance of Monolayer WS2(1–x)Se2x with a Tunable Band Gap
2015
Noncovalent Functionalization of Graphene and Graphene Oxide for Energy Materials, Biosensing, Catalytic, and Biomedical Applications
2016 Standout
2‐Dimensional Transition Metal Dichalcogenides with Tunable Direct Band Gaps: MoS2(1–x)Se2x Monolayers
2013
Absorption of light by excitons and trions in monolayers of metal dichalcogenideMo S 2
2014
Phosphorene: Synthesis, Scale-Up, and Quantitative Optical Spectroscopy
2015
Computer Simulation of Liquids
2017 Standout
Quasiparticle Band Gap Engineering of Graphene and Graphone on Hexagonal Boron Nitride Substrate
2011
Evidence of the Existence of Magnetism in Pristine VX2 Monolayers (X = S, Se) and Their Strain-Induced Tunable Magnetic Properties
2012
A Solution‐Processed Hole Extraction Layer Made from Ultrathin MoS2 Nanosheets for Efficient Organic Solar Cells
2013
Addressing fundamental experimental aspects of photocatalysis studies
2018
Predicted Simple-Cubic Phase and Superconducting Properties for Compressed Sulfur
1999
Probing the Local Structure of Liquid Water by X-ray Absorption Spectroscopy†
2006
Water as an Active Constituent in Cell Biology
2007 Standout
First principles study of structural, vibrational and electronic properties of graphene-like MX2 (M=Mo, Nb, W, Ta; X=S, Se, Te) monolayers
2011
Isotope Effect on the Thermal Conductivity of Graphene
2010
Concurrent coupling of length scales: Methodology and application
1999
Synthesis and luminescence of nanodiamonds from carbon black
2009
Hydrogen bonding definitions and dynamics in liquid water
2007
Charge Mediated Semiconducting-to-Metallic Phase Transition in Molybdenum Disulfide Monolayer and Hydrogen Evolution Reaction in New 1T′ Phase
2015
A Local Hybrid Functional with Wide Applicability and Good Balance between (De)Localization and Left–Right Correlation
2020
Colloidal Synthesis of Single-Layer MSe2 (M = Mo, W) Nanosheets via Anisotropic Solution-Phase Growth Approach
2015
Linear scaling electronic structure methods
1999
Semiconducting black phosphorus: synthesis, transport properties and electronic applications
2014
Optical Properties and Band Gap of Single- and Few-Layer MoTe2 Crystals
2014
Role of Boundary Layer Diffusion in Vapor Deposition Growth of Chalcogenide Nanosheets: The Case of GeS
2012
Low-temperature photocarrier dynamics in monolayer MoS2
2011
Chemically exfoliated ReS2nanosheets
2014
Plasmonic Hot Electron Induced Structural Phase Transition in a MoS2 Monolayer
2014
Integrated Circuits and Logic Operations Based on Single-Layer MoS2
2011
Rhenium Dichalcogenides: Layered Semiconductors with Two Vertical Orientations
2016
Stable Monolayer Transition Metal Dichalcogenide Ordered Alloys with Tunable Electronic Properties
2016
Adiabatic density-functional perturbation theory
1995
Emerging Device Applications for Semiconducting Two-Dimensional Transition Metal Dichalcogenides
2014 Standout
Diamond-like amorphous carbon
2002 Standout
Atomistic simulations of structural and thermodynamic properties of bilayer graphene
2010
A density-matrix divide-and-conquer approach for electronic structure calculations of large molecules
1995
Mechanism of thermal conductivity reduction in few-layer graphene
2011
Oxynitrogenography: Controlled Synthesis of Single-Phase Tantalum Oxynitride Photoabsorbers
2015
Projector augmented-wave method
1994 Standout
Density of States Partitioning Method for Calculating the Free Energy of Solids
2012
From Bulk to Monolayer MoS2: Evolution of Raman Scattering
2012 Standout
Molecular dynamics without effective potentials via the Car-Parrinello approach
1990
Macroscopic Separation of Dense Fluid Phase and Liquid Phase of Phosphorus
2004 StandoutScienceNobel
Crystalline Ropes of Metallic Carbon Nanotubes
1996 StandoutScienceNobel
Surface Chemistry and Properties of Ozone-Purified Detonation Nanodiamonds
2011
Size Threshold in the Dibenzothiophene Adsorption on MoS2Nanoclusters
2010
Dislocation theory of chirality-controlled nanotube growth
2009
Layered semiconductor tungsten disulfide: photoactive material in bulk heterojunction solar cells
2012
Exciton band structure of monolayerMoS 2
2015
Stable, Single-Layer MX2 Transition-Metal Oxides and Dichalcogenides in a Honeycomb-Like Structure
2012
Mechanism for Liquid Phase Exfoliation of MoS2
2015
X-ray Absorption Spectroscopy Study of the Hydrogen Bond Network in the Bulk Water of Aqueous Solutions
2005
Raman Spectra of Monolayer, Few-Layer, and Bulk ReSe2: An Anisotropic Layered Semiconductor
2014
Ultra-stable two-dimensional MoS2 solution for highly efficient organic solar cells
2014
Chemical Vapor Deposition Growth of Crystalline Monolayer MoSe2
2014
Particulate Photocatalysts for Light-Driven Water Splitting: Mechanisms, Challenges, and Design Strategies
2019 Standout
Observation of interlayer phonon modes in van der Waals heterostructures
2015
The pressure-temperature phase and transformation diagram for carbon; updated through 1994
1996
Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set
1996 Standout
Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics
1999 Standout
First-principles determination of the structural, vibrational and thermodynamic properties of diamond, graphite, and derivatives
2005
Density-functional perturbation theory for lattice dynamics with ultrasoft pseudopotentials
1997
Evolution of Electronic Structure in Atomically Thin Sheets of WS2 and WSe2
2012 Standout
A look at the density functional theory zoo with the advanced GMTKN55 database for general main group thermochemistry, kinetics and noncovalent interactions
2017
Exciton broadening in WS 2
2017
High quantity and quality few-layers transition metal disulfide nanosheets from wet-milling exfoliation
2013
‘‘Ab initio’’ liquid water
1993
Electronic properties of the MoS2 2
2013
Liquid Exfoliation of Layered Materials
2013 StandoutScience
Large-scale production of two-dimensional nanosheets
2012
Spin and pseudospins in layered transition metal dichalcogenides
2014 Standout
Rapid Characterization of Ultrathin Layers of Chalcogenides on SiO2/Si Substrates
2012
Collapse and growth
1993 StandoutNatureNobel
Emerging Two-Dimensional Nanomaterials for Electrocatalysis
2018 Standout
Control of Graphene's Properties by Reversible Hydrogenation: Evidence for Graphane
2009 StandoutScienceNobel
Conducting MoS2 Nanosheets as Catalysts for Hydrogen Evolution Reaction
2013 Standout
Car-Parrinello molecular dynamics with Vanderbilt ultrasoft pseudopotentials
1993 Standout
Monolayer MoSe2 Grown by Chemical Vapor Deposition for Fast Photodetection
2014
Fast and reliable identification of atomically thin layers of TaSe2 crystals
2013
Modulating the atomic and electronic structures through alloying and heterostructure of single-layer MoS2
2013
Preparation of MoS2‐Polyvinylpyrrolidone Nanocomposites for Flexible Nonvolatile Rewritable Memory Devices with Reduced Graphene Oxide Electrodes
2012
Ab initiosimulations of tetrahedral amorphous carbon
1996
Pseudopotentials for non-local-density functionals
1991
Tight-binding modelling of materials
1997
Graphene-Like Two-Dimensional Materials
2013 Standout
Integrated Circuits Based on Bilayer MoS2 Transistors
2012
Ultrathin Two-Dimensional Nanomaterials
2015 Standout
From ultrasoft pseudopotentials to the projector augmented-wave method
1999 Standout
Synthesis of Particulate Hierarchical Tandem Heterojunctions toward Optimized Photocatalytic Hydrogen Production
2018
π-Conjugated Nickel Bis(dithiolene) Complex Nanosheet
2013
Formation ofC 60
1992
New prospects and frontiers of nanodiamond clusters
2007
Observation of Excitonic Rydberg States in Monolayer MoS2 and WS2 by Photoluminescence Excitation Spectroscopy
2015 StandoutNobel
Black Phosphorus–Monolayer MoS2 van der Waals Heterojunction p–n Diode
2014
Self-consistent order-N
1996 Standout
Influence of quantum confinement on the electronic structure of the transition metal sulfideT 2
2011
Photoluminescence from Chemically Exfoliated MoS2
2011 Standout
Suspended single-layer MoS2 devices
2013
How dielectric screening in two-dimensional crystals affects the convergence of excited-state calculations: Monolayer MoS2
2013
Phonon Softening and Superconductivity in Tellurium under Pressure
1996
Transistors with chemically synthesized layered semiconductor WS2 exhibiting 105 room temperature modulation and ambipolar behavior
2012
Effect of spin-orbit interaction on the optical spectra of single-layer, double-layer, and bulk MoS2
2013
A Novel Wet Chemistry Approach for the Synthesis of Hybrid 2D Free-Floating Single or Multilayer Nanosheets of MS2@oleylamine (M═Mo, W)
2011
Stability, chemical bonding, and vibrational properties of amorphous carbon at different mass densities
1995
Influence of Excited Carriers on the Optical and Electronic Properties of MoS2
2014
Nature of Electronic States in Atomically Thin MoS2 Field-Effect Transistors
2011
Van der Waals stacked 2D layered materials for optoelectronics
2016
Analyzing the errors of DFT approximations for compressed water systems
2014
A generally applicable atomic-charge dependent London dispersion correction
2019
Stimulated emission in plasma-enhanced chemical vapour deposited silicon nanocrystals
2003
Remarkable patterns of surface water ordering around polarized buckminsterfullerene
2011 StandoutNobel
Differential Modulating Effect of MoS2 on Amyloid Peptide Assemblies
2017
Synthesis and Transfer of Single-Layer Transition Metal Disulfides on Diverse Surfaces
2013
Elucidating charge separation in particulate photocatalysts using nearly intrinsic semiconductors with small asymmetric band bending
2019
Quasiparticle band structure calculation of monolayer, bilayer, and bulk MoS2
2012
Efficiency of algorithms for Kohn-Sham density functional theory
1995
MoSe2 and WSe2 Nanofilms with Vertically Aligned Molecular Layers on Curved and Rough Surfaces
2013
Preparation and Behavior of Brownish, Clear Nanodiamond Colloids
2007
Photoemission study of onionlike carbons produced by annealing nanodiamonds
2005
Strain and structure heterogeneity in MoS2 atomic layers grown by chemical vapour deposition
2014
Phonon-limited mobility inn 2
2012
Valley excitons in two-dimensional semiconductors
2014
Symmetry-dependent phonon renormalization in monolayer MoS2
2012
Engineering crystalline structures of two-dimensional MoS2sheets for high-performance organic solar cells
2014
A comparison of methods for melting point calculation using molecular dynamics simulations
2012
Optically active heterostructures of graphene and ultrathin MoS2
2013
Isotope effects in liquid water probed by x-ray Raman spectroscopy
2007
Excitonic Linewidth Approaching the Homogeneous Limit in MoS 2
2017
Ripples and Layers in Ultrathin MoS2 Membranes
2011
Single-Crystal Atomic-Layered Molybdenum Disulfide Nanobelts with High Surface Activity
2015
A consistent and accurateab initioparametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
2010 Standout
Toward Barrier Free Contact to Molybdenum Disulfide Using Graphene Electrodes
2015
Structure of hydrated complexes formed by metal ions of Groups I—III of the Periodic Table in aqueous electrolyte solutions under ambient conditions
2003
Enhanced Electrocatalytic Properties of Transition-Metal Dichalcogenides Sheets by Spontaneous Gold Nanoparticle Decoration
2013
Electronic Structure of 1 to 2 nm Diameter Silicon Core/Shell Nanocrystals: Surface Chemistry, Optical Spectra, Charge Transfer, and Doping
2003 StandoutNobel
Unusually tight aggregation in detonation nanodiamond: Identification and disintegration
2005
Targeted Synthesis of 2H‐ and 1T‐Phase MoS2 Monolayers for Catalytic Hydrogen Evolution
2016
The renaissance of black phosphorus
2015
Ion beam modification of tetrahedral amorphous carbon: the effect of irradiation temperature
1997
High-pressure transformations in simple melts
1997
Optical and Excitonic Properties of Atomically Thin Transition-Metal Dichalcogenides
2017
Electric Field Effects on Armchair MoS2 Nanoribbons
2012
Structural and electronic properties of rhodium surfaces: an ab initio approach
1996
First-principles calculation of the activation energy for diffusion in liquid sodium
1990
Probing Critical Point Energies of Transition Metal Dichalcogenides: Surprising Indirect Gap of Single Layer WSe2
2015
Excitons in van der Waals heterostructures: The important role of dielectric screening
2015
Atomic Defects in Two‐Dimensional Materials: From Single‐Atom Spectroscopy to Functionalities in Opto‐/Electronics, Nanomagnetism, and Catalysis
2017
Solution‐Processed Two‐Dimensional Metal Dichalcogenide‐Based Nanomaterials for Energy Storage and Conversion
2016
Electronic structures and theoretical modelling of two-dimensional group-VIB transition metal dichalcogenides
2014
Ambipolar MoS2 Thin Flake Transistors
2012
Photocurrent generation with two-dimensional van der Waals semiconductors
2015
Photoluminescence of freestanding single- and few-layerMoS 2
2014
Colloquium: Excitons in atomically thin transition metal dichalcogenides
2018
Robust optical emission polarization in MoS2
2012
Realization of Room‐Temperature Phonon‐Limited Carrier Transport in Monolayer MoS2 by Dielectric and Carrier Screening
2015
A transferable tight-binding potential for carbon
1992
Layer Number Dependence of MoS2 Photoconductivity Using Photocurrent Spectral Atomic Force Microscopic Imaging
2015
Nanodiamond Particles: Properties and Perspectives for Bioapplications
2009
Raman ‘‘fingerprinting’’ of amorphous carbon films
1994
Carbon Nanostructures
2002
Metallic 1T phase MoS2 nanosheets as supercapacitor electrode materials
2015 Standout
The effect of the substrate on the Raman and photoluminescence emission of single-layer MoS2
2014
Analytical approach to excitonic properties of MoS2
2014
Dielectric screening in two-dimensional insulators: Implications for excitonic and impurity states in graphane
2011
Enhanced Kinetics of Hole Transfer and Electrocatalysis during Photocatalytic Oxygen Evolution by Cocatalyst Tuning
2016
Preparation and Applications of Mechanically Exfoliated Single-Layer and Multilayer MoS2and WSe2Nanosheets
2014
Linear scaling density functional calculations via the continuous fast multipole method
1996
Active guests in the MoS2/MoSe2 host lattice: efficient hydrogen evolution using few-layer alloys of MoS2(1−x)Se2x
2014
Enhancement of Exciton–Phonon Scattering from Monolayer to Bilayer WS2
2018 StandoutNobel
25th Anniversary Article: Hybrid Nanostructures Based on Two‐Dimensional Nanomaterials
2014
Structural and Electronic Properties of Clean and Hydrogenated Diamond (100) Surfaces
1994
Large excitonic effects in monolayers of molybdenum and tungsten dichalcogenides
2012
Graphite at high pressures: Amorphization at 44 GPa
1992
Ultrafine diamond synthesized by long-pulse-width laser
2006
Electronic Structure and Luminescence of 1.1- and 1.4-nm Silicon Nanocrystals: Oxide Shell versus Hydrogen Passivation
2003 StandoutNobel
Broad Family of Carbon Nanoallotropes: Classification, Chemistry, and Applications of Fullerenes, Carbon Dots, Nanotubes, Graphene, Nanodiamonds, and Combined Superstructures
2015 Standout
Mono-, Few-, and Multiple Layers of Copper Antimony Sulfide (CuSbS2): A Ternary Layered Sulfide
2014
Band Gap‐Tunable Molybdenum Sulfide Selenide Monolayer Alloy
2014
Strategies for Efficient Charge Separation and Transfer in Artificial Photosynthesis of Solar Fuels
2017
N-scaling algorithm for density-functional calculations of metals and insulators
1994
Phonons and related crystal properties from density-functional perturbation theory
2001 Standout
The Melting Temperature of Liquid Water with the Effective Fragment Potential
2015
Extraordinary Sunlight Absorption and One Nanometer Thick Photovoltaics Using Two-Dimensional Monolayer Materials
2013 Standout
Simulation of chemical reaction equilibria by the reaction ensemble Monte Carlo method: a review†
2008
Probing Interlayer Interactions in Transition Metal Dichalcogenide Heterostructures by Optical Spectroscopy: MoS2/WS2 and MoSe2/WSe2
2015
The structure and reactivity of nanoscale diamond
2008
Quasiparticle band structures and optical properties of strained monolayer MoS2 2
2013
Recent development in 2D materials beyond graphene
2015
Order-N tight-binding methods for electronic-structure and molecular dynamics
1998
How van der Waals interactions determine the unique properties of water
2016
Coexistence of bucky diamond with nanodiamond and fullerene carbon phases
2003
Augmented-plane-wave calculations on small molecules
1993
Graphene-like layered metal dichalcogenide/graphene composites: synthesis and applications in energy storage and conversion
2014
Solution‐Processed Two‐Dimensional MoS2 Nanosheets: Preparation, Hybridization, and Applications
2016
van der Waals Epitaxy of MoS2 Layers Using Graphene As Growth Templates
2012
Computational Screening of 2D Materials for Photocatalysis
2015
Strong electronic correlation in the hydrogen chain: A variational Monte Carlo study
2011
Pressure Dependences of the Melting Temperature of Graphite and the Electrical Resistivity of Liquid Carbon
1997
Recent Advances in Ultrathin Two-Dimensional Nanomaterials
2017 Standout
Hydrogen bonded structure of water and aqueous solutions of sodium halides: a Raman spectroscopic study
2004
Charge Dynamics and Electronic Structures of Monolayer MoS2Films Grown by Chemical Vapor Deposition
2013
Generalized Gradient Approximation Made Simple
1996 Standout
Protein Induces Layer-by-Layer Exfoliation of Transition Metal Dichalcogenides
2015
Structural models of a-C and a-C:H
1995
Graphene-analogous low-dimensional materials
2013
The SIESTA method forab initioorder-Nmaterials simulation
2002 Standout
Radial distribution function of amorphous carbon
1990
Phonons in single-layer and few-layer MoS2 2
2011
k · p theory for two-dimensional transition metal dichalcogenide semiconductors
2015
Growth of MoS2(1–x)Se2x (x = 0.41–1.00) Monolayer Alloys with Controlled Morphology by Physical Vapor Deposition
2015
Magnetic properties of MoS2: Existence of ferromagnetism
2012
Linear scaling computation of the Fock matrix. II. Rigorous bounds on exchange integrals and incremental Fock build
1997
Size, Dimensionality, and Strong Electron Correlation in Nanoscience
2014 StandoutNobel
Carbon onions as nanoscopic pressure cells for diamond formation
1996 Nature
Strong Closed-Shell Interactions in Inorganic Chemistry
1997 Standout
Chemical Vapor Sensing with Monolayer MoS2
2013
Observation of exciton-phonon coupling in MoSe 2
2018
Electric Field Effect in Atomically Thin Carbon Films
2004 StandoutScienceNobel
Thermally Driven Crossover from Indirect toward Direct Bandgap in 2D Semiconductors: MoSe2 versus MoS2
2012
Wannier and Bloch orbital computation of the nonlinear susceptibility
1994
Fast Parallel Algorithms for Short-Range Molecular Dynamics
1995 Standout
Scalable Production of a Few-Layer MoS2/WS2 Vertical Heterojunction Array and Its Application for Photodetectors
2015
Phosphorus: First principle simulation of a liquid–liquid phase transition
2005
Tungstic acids H2WO4 and H4WO5 as stable photocatalysts for water oxidation under visible light
2017
Influence of ions on the hydrogen-bond structure in liquid water
2003
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
1996 Standout
Stretching and Breaking of Ultrathin MoS2
2011 Standout
Strain-engineered artificial atom as a broad-spectrum solar energy funnel
2012
Ab initio molecular dynamics with a finite-temperature density functional
1994
Tunable band gaps in bilayer transition-metal dichalcogenides
2011
Effects of confinement and environment on the electronic structure and exciton binding energy of MoS2
2012
Interpretation of Raman spectra of disordered and amorphous carbon
2000 Standout
Acceleration schemes forab initiomolecular-dynamics simulations and electronic-structure calculations
1994
Dielectric Screening of Excitons and Trions in Single-Layer MoS2
2014
Rapid preparation of single-layer transition metal dichalcogenide nanosheets via ultrasonication enhanced lithium intercalation
2015
Nanoelectronic circuits based on two-dimensional atomic layer crystals
2014
Theory of neutral and charged excitons in monolayer transition metal dichalcogenides
2013
Dimer reconstruction and electronic surface states on clean and hydrogenated diamond (100) surfaces
1996
First-principles investigation of ferroelectricity in perovskite compounds
1994
Origin of Indirect Optical Transitions in Few-Layer MoS2, WS2, and WSe2
2013
π bonding versus electronic-defect generation: An examination of band-gap properties in amorphous carbon
1994
How Good Can Monolayer MoS2 Transistors Be?
2011
Preparation of High Concentration Dispersions of Exfoliated MoS2 with Increased Flake Size
2012
Ultrafast Transient Terahertz Conductivity of Monolayer MoS2 and WSe2 Grown by Chemical Vapor Deposition
2014
An atlas of two-dimensional materials
2014
Performance Limits of Monolayer Transition Metal Dichalcogenide Transistors
2011
Mapping of the dark exciton landscape in transition metal dichalcogenides
2018
High-Performance Chemical Sensing Using Schottky-Contacted Chemical Vapor Deposition Grown Monolayer MoS2 Transistors
2014
Measurement of the optical dielectric function of monolayer transition-metal dichalcogenides:MoS 2 Mo S e 2 WS 2 WS e 2
2014
Two‐Dimensional Molybdenum Trioxide and Dichalcogenides
2013
The valley Hall effect in MoS 2 transistors
2014 Science
Photonics and optoelectronics of 2D semiconductor transition metal dichalcogenides
2016 Standout
A simplified density matrix minimization for linear scaling self-consistent field theory
1999
Chemical Vapor Deposition of Monolayer Rhenium Disulfide (ReS2)
2015
Amorphous phosphorus: A cluster-network model
1992
Graphene plasmonics
2012 StandoutNobel
Transition Metal Disulfides as Noble‐Metal‐Alternative Co‐Catalysts for Solar Hydrogen Production
2016
Tunable Band Gap Photoluminescence from Atomically Thin Transition-Metal Dichalcogenide Alloys
2013
Self-consistent first-principles technique with linear scaling
1995
Hard amorphous (diamond-like) carbons
1991
Toward the Growth of an Aligned Single-Layer MoS2 Film
2011
Hydrothermal synthesis of molybdenum disulfide nanosheets as supercapacitors electrode material
2014
First Principles Methods: A Perspective from Quantum Monte Carlo
2013
Bandgap, Mid-Gap States, and Gating Effects in MoS2
2014
Simultaneous solution of diagonalization and self-consistency problems for transition-metal systems
1989
Density-functional method for very large systems with LCAO basis sets
1997
Graphene/MoS2 Heterostructures for Ultrasensitive Detection of DNA Hybridisation
2014
Analysis of separable potentials
1991
Multiscale coarse graining of liquid-state systems
2005
Thickness and strain effects on electronic structures of transition metal dichalcogenides: 2H-M X 2 M = X =
2012
Coherent Atomic and Electronic Heterostructures of Single-Layer MoS2
2012
Band Alignment in MoS2/WS2 Transition Metal Dichalcogenide Heterostructures Probed by Scanning Tunneling Microscopy and Spectroscopy
2016
Lithium ion battery applications of molybdenum disulfide (MoS2) nanocomposites
2013
Unconstrained minimization approach for electronic computations that scales linearly with system size
1993
Works of Giulia Galli being referenced
Structural and bonding properties of solid tellurium from first-principles calculations
1994
Dissociation of Water under Pressure
2001
Surface Chemistry of Silicon Nanoclusters
2002
Atomistic Simulations of Heat Transport in Silicon Nanowires
2009
Quantum Confinement and Fullerenelike Surface Reconstructions in Nanodiamonds
2003
Liquid-Liquid Phase Transition in Elemental Carbon: A First-Principles Investigation
2002
Modelling heterogeneous interfaces for solar water splitting
2017
Ultradispersity of diamond at the nanoscale
2003
High-Pressure Molecular Phases of Solid Carbon Dioxide
2003
Quantum Monte Carlo Calculations of Nanostructure Optical Gaps: Application to Silicon Quantum Dots
2002
Dielectric Response of Periodic Systems from Quantum Monte Carlo Calculations
2005
Nature and Strength of Interlayer Binding in Graphite
2009
A quantum fluid of metallic hydrogen suggested by first-principles calculations
2004 Nature
Growth of Carbon Nanotubes on Metal Nanoparticles: A Microscopic Mechanism fromAb InitioMolecular Dynamics Simulations
2005
Thermal Conductivity of Isolated and Interacting Carbon Nanotubes: Comparing Results from Molecular Dynamics and the Boltzmann Transport Equation
2007
A First‐Principles Molecular Dynamics Study of Calcium in Water
2005
X-Ray Absorption Spectra of Water from First Principles Calculations
2006
Atomic Control of Water Interaction with Biocompatible Surfaces: The Case of SiC(001)
2004
First principles and classical molecular dynamics simulations of solvated benzene
2008
Probing the Structure of Salt Water under Confinement with First-Principles Molecular Dynamics and Theoretical X-ray Absorption Spectroscopy
2012
Blind test of density-functional-based methods on intermolecular interaction energies
2016
Large scale electronic structure calculations
1992
Accurate pseudopotential local-density-approximation computations for neutral and ionized dimers of the IB and IIB groups
1990
Characterization of NiFe oxyhydroxide electrocatalysts by integrated electronic structure calculations and spectroelectrochemistry
2017
Ab initiosimulations of dense liquid deuterium: Comparison with gas-gun shock-wave experiments
2004
Carbon: The nature of the liquid state
1989
Reconstruction of the diamond (111) surface
1992
Electronic Effects in the IR Spectrum of Water under Confinement
2009
Water under Pressure
2000
Density and Compressibility of Liquid Water and Ice from First-Principles Simulations with Hybrid Functionals
2015
Melting of ice under pressure
2008
Structural and Vibrational Properties of Liquid Water from van der Waals Density Functionals
2011
Carbon under extreme conditions: Phase boundaries and electronic properties from first-principles theory
2006
Electronic-structure calculations and molecular-dynamics simulations with linear system-size scaling
1994
Water Confined in Nanotubes and between Graphene Sheets: A First Principle Study
2008
Large Scale Quantum Simulations:C 60
1994
Orbital formulation for electronic-structure calculations with linear system-size scaling
1993
Towards an assessment of the accuracy of density functional theory for first principles simulations of water
2003
Carbon Superatom Thin Films
1997
Optoelectronic properties ofTa 3 N 5
2014
First-Principle Analysis of the IR Stretching Band of Liquid Water
2010
A first principles molecular dynamics simulation of the hydrated magnesium ion
2001
The electronic structure of liquid water within density-functional theory
2005
O(N) tight-binding molecular dynamics on massively parallel computers: an orbital decomposition approach
1996
Structure of Hydrophobic Hydration of Benzene and Hexafluorobenzene from First Principles
2007
Emerging Photoluminescence in Monolayer MoS2
2010 Standout
Total-energy global optimizations using nonorthogonal localized orbitals
1995
Microscopic structure of hydrogenated amorphous carbon
1994
Calculation of Quasi-Particle Energies of Aromatic Self-Assembled Monolayers on Au(111)
2009
The solvation of Na+ in water: First-principles simulations
2000
Optimizing the Band Edges of Tungsten Trioxide for Water Oxidation: A First-Principles Study
2014
Linear scaling methods for electronic structure calculations and quantum molecular dynamics simulations
1996
Melting of Diamond at High Pressure
1990 Science
Ab initiocalculation of properties of carbon in the amorphous and liquid states
1990
Towards an assessment of the accuracy of density functional theory for first principles simulations of water. II
2004
Calculation of optical absorption spectra of hydrogenated Si clusters: Bethe-Salpeter equation versus time-dependent local-density approximation
2003
Structural and Electronic Properties of Amorphous Carbon
1989
First Principles Simulations of the Infrared Spectrum of Liquid Water Using Hybrid Density Functionals
2011
A microscopic model for surface-induced diamond-to-graphite transitions
1996 Nature
Real-space adaptive-coordinate electronic-structure calculations
1995
Electronic Properties of MoS2 Nanoparticles
2007
Disordered and ordered C28 solids
1998
Dielectric properties of water under extreme conditions and transport of carbonates in the deep Earth
2013
Electronic Structure of Thiolate-Covered Gold Nanoparticles: Au102(MBA)44
2008