Ab initio investigation of structural stability and exfoliation energies in transition metal dichalcogenides based on Ti-, V-, and Mo-group elements

A comprehensive study of g-factors, elastic, structural and electronic properties of III-V semiconductors using hybrid-density functional theory

(2018) Carlos M. O. Bastos et al.   JOURNAL OF APPLIED PHYSICS

Two-dimensional materials from high-throughput computational exfoliation of experimentally known compounds

(2018) Nicolas Mounet et al.   Nature Nanotechnology

Size-Induced Phase Evolution of MoSe2 Nanoflakes Revealed by Density Functional Theory

(2018) Rafael Besse et al.   Journal of Physical Chemistry C

Systematic search for two-dimensional ferromagnetic materials

(2018) Yu Zhu et al.   PHYSICAL REVIEW MATERIALS

Structural and quantum-state phase transition in van der Waals layered materials

(2017) Heejun Yang et al.   Nature Physics

Topology-Scaling Identification of Layered Solids and Stable Exfoliated 2D Materials

(2017) Michael Ashton et al.   PHYSICAL REVIEW LETTERS

Measurement of nanoscale three-dimensional diffusion in the interior of living cells by STED-FCS

(2017) Luca Lanzanò et al.   Nature Communications

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

(2017) Kamal Choudhary et al.   Scientific Reports

High density of (pseudo) periodic twin-grain boundaries in molecular beam epitaxy-grown van der Waals heterostructure: MoTe2/MoS2

(2016) Horacio Coy Diaz et al.   APPLIED PHYSICS LETTERS

Experimental observation of topological Fermi arcs in type-II Weyl semimetal MoTe2

(2016) Ke Deng et al.   Nature Physics

Recent progress in chemical vapor deposition growth of two-dimensional transition metal dichalcogenides

(2016) Swee Liang Wong et al.   PROGRESS IN CRYSTAL GROWTH AND CHARACTERIZATION OF MATERIALS

Stability and accuracy control of k · p parameters

(2016) Carlos M O Bastos et al.   SEMICONDUCTOR SCIENCE AND TECHNOLOGY

Phase engineering of transition metal dichalcogenides

(2015) Damien Voiry et al.   CHEMICAL SOCIETY REVIEWS

Stabilization and Band-Gap Tuning of the 1T-MoS2 Monolayer by Covalent Functionalization

(2015) Qing Tang et al.   CHEMISTRY OF MATERIALS

Ferromagnetism in layered metastable 1T-CrTe2

(2015) Daniele C Freitas et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Bandgap opening in few-layered monoclinic MoTe 2

(2015) Dong Hoon Keum et al.   Nature Physics

Phase patterning for ohmic homojunction contact in MoTe2

(2015) S. Cho et al.   SCIENCE

One-step Synthesis of Few-layer WS2 by Pulsed Laser Deposition

(2015) Tamie A. J. Loh et al.   Scientific Reports

Transition Metal Dichalcogenides and Beyond: Synthesis, Properties, and Applications of Single- and Few-Layer Nanosheets

(2014) Ruitao Lv et al.   ACCOUNTS OF CHEMICAL RESEARCH

Elastic Constants and Pressure-Induced Effects in MoS2

(2014) H. Peelaers et al.   Journal of Physical Chemistry C

First-principles study of van der Waals interactions in MoS2and MoO3

(2014) H Peelaers et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Atomic layer deposition of a MoS2 film

(2014) Lee Kheng Tan et al.   Nanoscale

Necessary and sufficient elastic stability conditions in various crystal systems

(2014) Félix Mouhat et al.   PHYSICAL REVIEW B

Surface transport and band gap structure of exfoliated 2H-MoTe2crystals

(2014) Ignacio Gutiérrez Lezama et al.   2D Materials

The chemistry of two-dimensional layered transition metal dichalcogenide nanosheets

(2013) Manish Chhowalla et al.   Nature Chemistry

Antiferromagnetism and ferromagnetism in layered1T-CrSe2with V and Ti replacements

(2013) Daniele C. Freitas et al.   PHYSICAL REVIEW B

Two-Dimensional Materials from Data Filtering andAb InitioCalculations

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

Dimension-dependent phase transition and magnetic properties of VS2

(2013) Hui Zhang et al.   Journal of Materials Chemistry A

Ferromagnetism in ultrathin VS2 nanosheets

(2013) Daqiang Gao et al.   Journal of Materials Chemistry C

Are we van der Waals ready?

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

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

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

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

A grid-based Bader analysis algorithm without lattice bias

(2009) W Tang et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Accurate band structures and effective masses for InP, InAs, and InSb using hybrid functionals

(2009) Yoon-Suk Kim et al.   PHYSICAL REVIEW B

Localization and Delocalization Errors in Density Functional Theory and Implications for Band-Gap Prediction

(2008) Paula Mori-Sánchez et al.   PHYSICAL REVIEW LETTERS