First-principles study on the electronic structures and ferromagnetism of tetragonal AlN monolayer doped with Be and C

B2P6: A Two-Dimensional Anisotropic Janus Material with Potential in Photocatalytic Water Splitting and Metal-Ion Batteries

(2020) Minglei Sun et al.   CHEMISTRY OF MATERIALS

Electronic and optical properties of janus MoSSe and ZnO vdWs heterostructures

(2020) Zhen Cui et al.   SUPERLATTICES AND MICROSTRUCTURES

Beryllene: A Promising Anode Material for Na- and K-Ion Batteries with Ultrafast Charge/Discharge and High Specific Capacity

(2020) Minglei Sun et al.   Journal of Physical Chemistry Letters

Janus XSSe/SiC (X = Mo, W) van der Waals heterostructures as promising water-splitting photocatalysts

(2020) Zhen Cui et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

The valley Nernst effect in WSe2

(2019) Minh Tuan Dau et al.   Nature Communications

Two-Dimensional Lattices of VN: Emergence of Ferromagnetism and Half-Metallicity on Nanoscale

(2018) Artem V. Kuklin et al.   Journal of Physical Chemistry Letters

Strain and Bond Length Dynamics upon Growth and Transfer of Graphene by NEXAFS Spectroscopy from First-Principles and Experiment

(2018) W. Y. Rojas et al.   LANGMUIR

Electronic and magnetic properties of zigzag GaN nanoribbons with hydrogenation and fluorination

(2018) Song Li et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Hittorf's violet phosphorene as a promising candidate for optoelectronic and photocatalytic applications: first-principles characterization

(2018) Yi-Lin Lu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Intriguing electronic insensitivity and high carrier mobility in monolayer hexagonal YN

(2018) Kai Zheng et al.   Journal of Materials Chemistry C

Fundamentals, progress, and future directions of nitride-based semiconductors and their composites in two-dimensional limit: A first-principles perspective to recent synthesis

(2018) D. Kecik et al.   Applied Physics Reviews

High Curie temperature and half-metallicity in an atomically thin main group-based boron phosphide system: long range ferromagnetism

(2018) Gargee Bhattacharyya et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

First-principles prediction of ferromagnetism in transition-metal doped monolayer AlN

(2018) Shiyao Wang et al.   SUPERLATTICES AND MICROSTRUCTURES

Magnetism in Boron Nitride Monolayer Induced by Cobalt or Nickel Doping

(2017) M. Wang et al.   Journal of Superconductivity and Novel Magnetism

Tunable Magnetism and Extraordinary Sunlight Absorbance in Indium Triphosphide Monolayer

(2017) Naihua Miao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Computational Dissection of Two-Dimensional Rectangular Titanium Mononitride TiN: Auxetics and Promises for Photocatalysis

(2017) Liujiang Zhou et al.   NANO LETTERS

Two-dimensional hexagonal CrN with promising magnetic and optical properties: A theoretical prediction

(2017) Artem V. Kuklin et al.   Nanoscale

Enhanced valley splitting in monolayer WSe2 due to magnetic exchange field

(2017) Chuan Zhao et al.   Nature Nanotechnology

Adsorption of small inorganic molecules on a defective MoS2 monolayer

(2017) César González et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Computational search for two-dimensional intrinsic half-metals in transition-metal dinitrides

(2017) Junyan Liu et al.   Journal of Materials Chemistry C

2D metal carbides and nitrides (MXenes) for energy storage

(2017) Babak Anasori et al.   Nature Reviews Materials

MXene Electrode for the Integration of WSe2and MoS2Field Effect Transistors

(2016) Jiao Xu et al.   ADVANCED FUNCTIONAL MATERIALS

2D phosphorene as a water splitting photocatalyst: fundamentals to applications

(2016) Mohammad Ziaur Rahman et al.   Energy & Environmental Science

Two-Dimensional Phosphorus Porous Polymorphs with Tunable Band Gaps

(2016) Zhiwen Zhuo et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Rise of silicene: A competitive 2D material

(2016) Jijun Zhao et al.   PROGRESS IN MATERIALS SCIENCE

Van der Waals heterostructures and devices

(2016) Yuan Liu et al.   Nature Reviews Materials

Amine-Assisted Delamination of Nb2C MXene for Li-Ion Energy Storage Devices

(2015) Olha Mashtalir et al.   ADVANCED MATERIALS

Cu-doped carbon nitride: Bio-inspired synthesis of H 2 -evolving electrocatalysts using graphitic carbon nitride (g-C 3 N 4 ) as a host material

(2015) Xiaoxin Zou et al.   APPLIED SURFACE SCIENCE

CO2 Capture on h-BN Sheet with High Selectivity Controlled by External Electric Field

(2015) Hongyan Guo et al.   Journal of Physical Chemistry C

Epitaxial growth of two-dimensional stanene

(2015) Feng-feng Zhu et al.   NATURE MATERIALS

Penta-graphene: A new carbon allotrope

(2015) Shunhong Zhang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

First principles phonon calculations in materials science

(2015) Atsushi Togo et al.   SCRIPTA MATERIALIA

Electronic and magnetic properties of an AlN monolayer doped with first-row elements: a first-principles study

(2015) Yujie Bai et al.   RSC Advances

Simulation Evidence of Hexagonal-to-Tetragonal ZnSe Structure Transition: A Monolayer Material with a Wide-Range Tunable Direct Bandgap

(2015) Lei Li et al.   Advanced Science

Shear strain induced indirect to direct transition in band gap in AlN monolayer nanosheet

(2014) Peng Liu et al.   COMPUTATIONAL MATERIALS SCIENCE

Black phosphorus field-effect transistors

(2014) Likai Li et al.   Nature Nanotechnology

Silicene as a highly sensitive molecule sensor for NH3, NO and NO2

(2014) Wei Hu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

High-mobility transport anisotropy and linear dichroism in few-layer black phosphorus

(2014) Jingsi Qiao et al.   Nature Communications

Computational studies on magnetism and the optical properties of transition metal embedded graphitic carbon nitride sheets

(2014) Dibyajyoti Ghosh et al.   Journal of Materials Chemistry C

Evidence for graphite-like hexagonal AlN nanosheets epitaxially grown on single crystal Ag(111)

(2013) P. Tsipas et al.   APPLIED PHYSICS LETTERS

Thermoelectric Properties of a Monolayer Bismuth

(2013) Long Cheng et al.   Journal of Physical Chemistry C

Enhanced Hydrogen Evolution Catalysis from Chemically Exfoliated Metallic MoS2 Nanosheets

(2013) Mark A. Lukowski et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Graphene Supported Co-g-C3N4 as a Novel Metal–Macrocyclic Electrocatalyst for the Oxygen Reduction Reaction in Fuel Cells

(2013) Qiao Liu et al.   LANGMUIR

Mechanical properties of the hexagonal boron nitride monolayer: Ab initio study

(2012) Qing Peng et al.   COMPUTATIONAL MATERIALS SCIENCE

Mechanical properties of graphene and boronitrene

(2012) R. C. Andrew et al.   PHYSICAL REVIEW B

Two-Dimensional Transition Metal Dichalcogenides under Electron Irradiation: Defect Production and Doping

(2012) Hannu-Pekka Komsa et al.   PHYSICAL REVIEW LETTERS

Electron-Beam-Induced Substitutional Carbon Doping of Boron Nitride Nanosheets, Nanoribbons, and Nanotubes

(2011) Xianlong Wei et al.   ACS Nano

Trapping of Metal Atoms in Vacancies of Carbon Nanotubes and Graphene

(2010) Julio A. Rodríguez-Manzo et al.   ACS Nano

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

Hydrogenation: A Simple Approach To Realize Semiconductor−Half-Metal−Metal Transition in Boron Nitride Nanoribbons

(2010) Wei Chen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Missing Atom as a Source of Carbon Magnetism

(2010) M. M. Ugeda et al.   PHYSICAL REVIEW LETTERS

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

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

(2008) Atsushi Togo et al.   PHYSICAL REVIEW B

Defect-Induced Intrinsic Magnetism in Wide-Gap III Nitrides

(2008) Pratibha Dev et al.   PHYSICAL REVIEW LETTERS

Measurement of the Elastic Properties and Intrinsic Strength of Monolayer Graphene

(2008) C. Lee et al.   SCIENCE