High-throughput Identification and Characterization of Two-dimensional Materials using Density functional theory

Characterization of Few-Layer 1T′ MoTe2 by Polarization-Resolved Second Harmonic Generation and Raman Scattering

(2016) Ryan Beams et al.   ACS Nano

Quantum dots derived from two-dimensional materials and their applications for catalysis and energy

(2016) Xuewan Wang et al.   CHEMICAL SOCIETY REVIEWS

Monolayer Single-Crystal 1T′-MoTe2 Grown by Chemical Vapor Deposition Exhibits Weak Antilocalization Effect

(2016) Carl H. Naylor et al.   NANO LETTERS

2D nanostructures for water purification: graphene and beyond

(2016) Saoirse Dervin et al.   Nanoscale

Can artificial intelligence create the next wonder material?

(2016) Nicola Nosengo   NATURE

Boosting materials modelling

(2016)   NATURE MATERIALS

2D materials: Hybrid interfaces

(2016) Olga Bubnova   Nature Nanotechnology

Flat talk

(2016) Rachel Won et al.   Nature Photonics

Why all the fuss about 2D semiconductors?

(2016) Andres Castellanos-Gomez   Nature Photonics

The Ising on the monolayer

(2016) Efren Navarro-Moratalla et al.   Nature Physics

Topological phases in two-dimensional materials: a review

(2016) Yafei Ren et al.   REPORTS ON PROGRESS IN PHYSICS

Reproducibility in density functional theory calculations of solids

(2016) K. Lejaeghere et al.   SCIENCE

Thermoelectric materials by using two-dimensional materials with negative correlation between electrical and thermal conductivity

(2016) Myoung-Jae Lee et al.   Nature Communications

Raman fingerprint for semi-metal WTe2 evolving from bulk to monolayer

(2016) Y. C. Jiang et al.   Scientific Reports

Machine learning bandgaps of double perovskites

(2016) G. Pilania et al.   Scientific Reports

Phase-Engineered Synthesis of Centimeter-Scale 1T′- and 2H-Molybdenum Ditelluride Thin Films

(2015) Jin Cheol Park et al.   ACS Nano

The Materials Application Programming Interface (API): A simple, flexible and efficient API for materials data based on REpresentational State Transfer (REST) principles

(2015) Shyue Ping Ong et al.   COMPUTATIONAL MATERIALS SCIENCE

The AFLOW standard for high-throughput materials science calculations

(2015) Camilo E. Calderon et al.   COMPUTATIONAL MATERIALS SCIENCE

Computational 2D Materials Database: Electronic Structure of Transition-Metal Dichalcogenides and Oxides

(2015) Filip A. Rasmussen et al.   Journal of Physical Chemistry C

Toward an Accurate Estimate of the Exfoliation Energy of Black Phosphorus: A Periodic Quantum Chemical Approach

(2015) Giuseppe Sansone et al.   Journal of Physical Chemistry Letters

Voltage-controlled quantum light from an atomically thin semiconductor

(2015) Chitraleema Chakraborty et al.   Nature Nanotechnology

Enhanced piezoelectricity and modified dielectric screening of two-dimensional group-IV monochalcogenides

(2015) Lídia C. Gomes et al.   PHYSICAL REVIEW B

First principles phonon calculations in materials science

(2015) Atsushi Togo et al.   SCRIPTA MATERIALIA

Ultrahigh sensitivity and layer-dependent sensing performance of phosphorene-based gas sensors

(2015) Shumao Cui et al.   Nature Communications

Dispersive growth and laser-induced rippling of large-area singlelayer MoS2 nanosheets by CVD on c-plane sapphire substrate

(2015) Hongfei Liu et al.   Scientific Reports

A database to enable discovery and design of piezoelectric materials

(2015) Maarten de Jong et al.   Scientific Data

The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies

(2015) Scott Kirklin et al.   npj Computational Materials

Robust 2D Topological Insulators in van der Waals Heterostructures

(2014) Liangzhi Kou et al.   ACS Nano

Sensitive, High-Strain, High-Rate Bodily Motion Sensors Based on Graphene–Rubber Composites

(2014) Conor S. Boland et al.   ACS Nano

Computational prediction of two-dimensional group-IV mono-chalcogenides

(2014) Arunima K. Singh et al.   APPLIED PHYSICS LETTERS

Metal–organic framework nanosheets in polymer composite materials for gas separation

(2014) Tania Rodenas et al.   NATURE MATERIALS

Electronics based on two-dimensional materials

(2014) Gianluca Fiori et al.   Nature Nanotechnology

Two-dimensional flexible nanoelectronics

(2014) Deji Akinwande et al.   Nature Communications

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

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

Band alignment of two-dimensional transition metal dichalcogenides: Application in tunnel field effect transistors

(2013) Cheng Gong et al.   APPLIED PHYSICS LETTERS

Graphene-Like Two-Dimensional Materials

(2013) Mingsheng Xu et al.   CHEMICAL REVIEWS

JSmol and the Next-Generation Web-Based Representation of 3D Molecular Structure as Applied toProteopedia

(2013) Robert M. Hanson et al.   ISRAEL JOURNAL OF CHEMISTRY

Strongly luminescent monolayered MoS2 prepared by effective ultrasound exfoliation

(2013) Václav Štengl et al.   Nanoscale

Two-Dimensional Materials from Data Filtering andAb InitioCalculations

(2013) S. Lebègue et al.   Physical Review X

Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis

(2012) Shyue Ping Ong et al.   COMPUTATIONAL MATERIALS SCIENCE

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

Valley polarization in MoS2 monolayers by optical pumping

(2012) Hualing Zeng et al.   Nature Nanotechnology

Disentanglement of Surface and Bulk Rashba Spin Splittings in Noncentrosymmetric BiTeI

(2012) Gabriel Landolt et al.   PHYSICAL REVIEW LETTERS

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

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

Experimental Evidence for Epitaxial Silicene on Diboride Thin Films

(2012) Antoine Fleurence et al.   PHYSICAL REVIEW LETTERS

Valley-selective circular dichroism of monolayer molybdenum disulphide

(2012) Ting Cao et al.   Nature Communications

Adsorption of carbon adatoms to graphene and its nanoribbons

(2011) C. Ataca et al.   JOURNAL OF APPLIED PHYSICS

First principles study of structural, vibrational and electronic properties of graphene-like MX2 (M=Mo, Nb, W, Ta; X=S, Se, Te) monolayers

(2011) Yi Ding et al.   PHYSICA B-CONDENSED MATTER

Van der Waals density functionals applied to solids

(2011) Jiří Klimeš et al.   PHYSICAL REVIEW B

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

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

Calculation of the lattice constant of solids with semilocal functionals

(2009) Philipp Haas et al.   PHYSICAL REVIEW B