Novel two-dimensional Janus YMN (M= I, Br and N= Cl, Br) monolayers

Janus β-Te2X (X = S, Se) monolayers for efficient excitonic solar cells and photocatalytic water splitting

(2023) Jaspreet Singh et al.   Journal of Materials Chemistry C

Structural and electronic properties of hexagonal MXH (M = C, Si, Ge and Sn; X = N, P, As and Sb) monolayers: A first-principles prediction

(2023) Ashkan Rajabi-Maram et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Stability, optoelectronic and thermal properties of two-dimensional janus α-Te2S

(2022) Jaspreet Singh et al.   NANOTECHNOLOGY

Mechanical, optical and thermoelectric properties of Janus BiTeCl monolayer

(2022) Poonam Chauhan et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

Computational discovery of two-dimensional rare-earth iodides: promising ferrovalley materials for valleytronics

(2022) Abhishek Sharan et al.   2D Materials

VASPKIT: A user-friendly interface facilitating high-throughput computing and analysis using VASP code

(2021) Vei Wang et al.   COMPUTER PHYSICS COMMUNICATIONS

Electronic structure, optical and thermoelectric properties of Ge2SeS monolayer via first-principles study

(2021) Adil Marjaoui et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Thermoelectric properties of Janus MXY (M = Pd, Pt; X, Y = S, Se, Te) transition-metal dichalcogenide monolayers from first principles

(2020) Wang-Li Tao et al.   JOURNAL OF APPLIED PHYSICS

Comparative study of elastic, thermodynamic properties and carrier mobility of InX (X = O, S, Se, Te) monolayers via first-principles

(2020) Zhi-Yong Chen et al.   SOLID STATE COMMUNICATIONS

Layer number dependence of the work function and optical properties of single and few layers MoS2: effect of substrate

(2019) Magdalena Daniela Tamulewicz et al.   NANOTECHNOLOGY

Epitaxial growth of a 100-square-centimetre single-crystal hexagonal boron nitride monolayer on copper

(2019) Li Wang et al.   NATURE

Length- and Thickness-Dependent Optical Response of Liquid-Exfoliated Transition Metal Dichalcogenides

(2019) Kevin Synnatschke et al.   CHEMISTRY OF MATERIALS

The pressure-induced mechanical and optoelectronic behavior of cubic perovskite PbSnO 3 via ab-initio investigations

(2018) N.A. Noor et al.   CERAMICS INTERNATIONAL

Bandgap engineering of Janus MoSSe monolayer implemented by Se vacancy

(2018) Yan-Ni Wen et al.   COMPUTATIONAL MATERIALS SCIENCE

Degradation Chemistry and Stabilization of Exfoliated Few-Layer Black Phosphorus in Water

(2018) Taiming Zhang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A Rigorous Method of Calculating Exfoliation Energies from First Principles

(2018) Jong Hyun Jung et al.   NANO LETTERS

Hexagonal boron nitride monolayers on metal supports: Versatile templates for atoms, molecules and nanostructures

(2018) Willi Auwärter   SURFACE SCIENCE REPORTS

Band Alignment at Au/MoS2 Contacts: Thickness Dependence of Exfoliated Flakes

(2017) Ahrum Sohn et al.   Journal of Physical Chemistry C

Exploring the charge localization and band gap opening of borophene: a first-principles study

(2017) Andrey A. Kistanov et al.   Nanoscale

Atomically Thin Boron Nitride: Unique Properties and Applications

(2016) Lu Hua Li et al.   ADVANCED FUNCTIONAL MATERIALS

Functionalized hexagonal boron nitride nanomaterials: emerging properties and applications

(2016) Qunhong Weng et al.   CHEMICAL SOCIETY REVIEWS

Semi-metallic Be5C2 monolayer global minimum with quasi-planar pentacoordinate carbons and negative Poisson’s ratio

(2016) Yu Wang et al.   Nature Communications

Two-dimensional antimonene single crystals grown by van der Waals epitaxy

(2016) Jianping Ji et al.   Nature Communications

Semiconducting black phosphorus: synthesis, transport properties and electronic applications

(2015) Han Liu et al.   CHEMICAL SOCIETY REVIEWS

Two-dimensional transition metal dichalcogenide (TMD) nanosheets

(2015) Manish Chhowalla et al.   CHEMICAL SOCIETY REVIEWS

Polarization-sensitive broadband photodetector using a black phosphorus vertical p–n junction

(2015) Hongtao Yuan et al.   Nature Nanotechnology

Effect of contaminations and surface preparation on the work function of single layer MoS2

(2014) Oliver Ochedowski et al.   Beilstein Journal of Nanotechnology

Layer-dependent Band Alignment and Work Function of Few-Layer Phosphorene

(2014) Yongqing Cai et al.   Scientific Reports

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

VESTA 3for three-dimensional visualization of crystal, volumetric and morphology data

(2011) Koichi Momma et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Effect of the damping function in dispersion corrected density functional theory

(2011) Stefan Grimme et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Interfacing 2D and 3D Topological Insulators: Bi(111) Bilayer onBi2Te3

(2011) Toru Hirahara et al.   PHYSICAL REVIEW LETTERS

Metal-like single crystalline boron nanotubes: synthesis and in situ study on electric transport and field emission properties

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

Soluble, Exfoliated Hexagonal Boron Nitride Nanosheets

(2009) Yi Lin et al.   Journal of Physical Chemistry Letters

Contact and edge effects in graphene devices

(2008) Eduardo J. H. Lee et al.   Nature Nanotechnology

First-principles calculations of the ferroelastic transition between rutile-type andCaCl2-typeSiO2at high pressures

(2008) Atsushi Togo et al.   PHYSICAL REVIEW B