Enhanced piezoelectricity and half-metallicity of fluorinated AlN nanosheets and nanoribbons: a first-principles study

Ab Initio Prediction of Piezoelectricity in Two-Dimensional Materials

(2015) Michael N. Blonsky et al.   ACS Nano

Giant piezoelectricity of monolayer group IV monochalcogenides: SnSe, SnS, GeSe, and GeS

(2015) Ruixiang Fei et al.   APPLIED PHYSICS LETTERS

Graphene-like AlN layer formation on (111)Si surface by ammonia molecular beam epitaxy

(2015) V. Mansurov et al.   JOURNAL OF CRYSTAL GROWTH

Promising Piezoelectric Performance of Single Layer Transition-Metal Dichalcogenides and Dioxides

(2015) M. Menderes Alyörük et al.   Journal of Physical Chemistry C

Emergence of One-Dimensional Wires of Free Carriers in Transition-Metal-Dichalcogenide Nanostructures

(2015) Marco Gibertini et al.   NANO LETTERS

Piezoelectricity in two-dimensional group-III monochalcogenides

(2015) Wenbin Li et al.   Nano Research

Band Gap Characters and Ferromagnetic/Antiferromagnetic Coupling in Group-IV Monolayers Tuned by Chemical Species and Hydrogen Adsorption Configurations

(2015) Wen-Zhe Yu et al.   Nanoscale Research Letters

Tuning the electronic and magnetic properties of graphene-like AlN nanosheets by surface functionalization and thickness

(2015) W. X. Zhang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Hexagonal AlN: Dimensional-crossover-driven band-gap transition

(2015) C. Bacaksiz et al.   PHYSICAL REVIEW B

Tunable Magnetism and Half-Metallicity in Hole-Doped Monolayer GaSe

(2015) Ting Cao et al.   PHYSICAL REVIEW LETTERS

First principles phonon calculations in materials science

(2015) Atsushi Togo et al.   SCRIPTA MATERIALIA

Tuning the field emission properties of AlN nanocones by doping

(2015) Qiang Wu et al.   Journal of Materials Chemistry C

Fundamental theories of piezotronics and piezo-phototronics

(2015) Ying Liu et al.   Nano Energy

Band Gap Characters and Ferromagnetic/Antiferromagnetic Coupling in Group-IV Monolayers Tuned by Chemical Species and Hydrogen Adsorption Configurations

(2015) Wen-Zhe Yu et al.   Nanoscale Research Letters

One-Step Exfoliation and Fluorination of Boron Nitride Nanosheets and a Study of Their Magnetic Properties

(2014) Miao Du et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The effects of dangling bond on the electronic and magnetic properties of armchair AlN/SiC heterostructure nanoribbons

(2014) Ting-ting Sun et al.   COMPUTATIONAL MATERIALS SCIENCE

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

(2014) Peng Liu et al.   COMPUTATIONAL MATERIALS SCIENCE

Dipolar polarization and piezoelectricity of a hexagonal boron nitride sheet decorated with hydrogen and fluorine

(2014) Mohammad Noor-A-Alam et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Properties of hydrofluorinated carbon- and boron nitride-based nanofilms: A first-principles study

(2014) Yurong Yang et al.   PHYSICAL REVIEW B

Ab initiosynthesis of single-layer III-V materials

(2014) Arunima K. Singh et al.   PHYSICAL REVIEW B

Elemental Analogues of Graphene: Silicene, Germanene, Stanene, and Phosphorene

(2014) Sivacarendran Balendhran et al.   Small

First-principles study on armchair AlN nanoribbons with different edge terminations

(2014) Xiu-Juan Du et al.   SUPERLATTICES AND MICROSTRUCTURES

Engineering polar discontinuities in honeycomb lattices

(2014) Marco Gibertini et al.   Nature Communications

First-principles study of AlN nanosheets with chlorination

(2014) Sheng-shi Li et al.   RSC Advances

Graphene derivatives: graphane, fluorographene, graphene oxide, graphyne and graphdiyne

(2014) Michio Inagaki et al.   Journal of Materials Chemistry A

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

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

Graphene-Like Two-Dimensional Materials

(2013) Mingsheng Xu et al.   CHEMICAL REVIEWS

Novel electronic and magnetic properties in AlN nanoribbons: First-principles prediction

(2013) Hang-Xing Luan et al.   EPL

A first-principles study on the electronic and magnetic properties of armchair SiC/AlN nanoribbons

(2013) Xiu-Juan Du et al.   JOURNAL OF ALLOYS AND COMPOUNDS

The Effect of Hydrogen and Fluorine Coadsorption on the Piezoelectric Properties of Graphene

(2013) Mitchell T. Ong et al.   Journal of Physical Chemistry C

Spin-resolved self-doping tunes the intrinsic half-metallicity of AlN nanoribbons

(2013) Alejandro Lopez-Bezanilla et al.   Nano Research

Electronic and optical properties of AlN nanosheet: An ab initio study

(2013) Sh. Valedbagi et al.   OPTICS COMMUNICATIONS

Mechanical and electronic properties of stoichiometric silicene and germanene oxides from first-principles

(2013) Yanli Wang et al.   Physica Status Solidi-Rapid Research Letters

Tunable doping and band gap of graphene on functionalized hexagonal boron nitride with hydrogen and fluorine

(2013) Shaobin Tang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Tunable band gap of AlN, GaN nanoribbons and AlN/GaN nanoribbon heterojunctions: A first-principle study

(2013) Qian Chen et al.   SOLID STATE COMMUNICATIONS

Mechanical stabilities and properties of graphene-like aluminum nitride predicted from first-principles calculations

(2013) Qing Peng et al.   RSC Advances

Atomic Covalent Functionalization of Graphene

(2012) James E. Johns et al.   ACCOUNTS OF CHEMICAL RESEARCH

Electronic structures of silicene fluoride and hydride

(2012) Yi Ding et al.   APPLIED PHYSICS LETTERS

Functionalization of Graphene: Covalent and Non-Covalent Approaches, Derivatives and Applications

(2012) Vasilios Georgakilas et al.   CHEMICAL REVIEWS

Defects in hexagonal-AlN sheets by first-principles calculations

(2012) E. F. de Almeida et al.   EUROPEAN PHYSICAL JOURNAL B

First-principles study on electronic structures and magnetic properties of AlN nanosheets and nanoribbons

(2012) Chang-wen Zhang   JOURNAL OF APPLIED PHYSICS

Electronic and Magnetic Properties of Fluorinated Graphene with Different Coverage of Fluorine

(2012) H. Y. Liu 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

Half-Metallic Properties Induced by Fluorine in Aluminum Nitride Nanosheet

(2012) Chang-wen Zhang et al.   JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN

Band gap engineering by functionalization of BN sheet

(2012) A. Bhattacharya et al.   PHYSICAL REVIEW B

Effect of hydrogen coverage on the Young's modulus of graphene

(2012) Emiliano Cadelano et al.   PHYSICAL REVIEW B

Two-Dimensional Dielectric Nanosheets: Novel Nanoelectronics From Nanocrystal Building Blocks

(2011) Minoru Osada et al.   ADVANCED MATERIALS

Edge Stabilities of Hexagonal Boron Nitride Nanoribbons: A First-Principles Study

(2011) Rajdip Mukherjee et al.   Journal of Chemical Theory and Computation

First-principles prediction on electronic and magnetic properties of hydrogenated AlN nanosheets

(2011) Chang-wen Zhang et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Effect of the damping function in dispersion corrected density functional theory

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

Structural and Electronic Properties of Hybrid Fluorographene–Graphene Nanoribbons: Insight from First-Principles Calculations

(2011) Shaobin Tang et al.   Journal of Physical Chemistry C

Structures of fluorinated graphene and their signatures

(2011) H. Şahin et al.   PHYSICAL REVIEW B

Tuning electronic and magnetic properties of AlN nanosheets with hydrogen and fluorine: First-principles prediction

(2011) Chang-wen Zhang et al.   PHYSICS LETTERS A

Structural and Electronic Properties of Fluorographene

(2011) Duminda K. Samarakoon et al.   Small

Molecular beam epitaxy growth and optical properties of AlN nanowires

(2010) O. Landré et al.   APPLIED PHYSICS 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

Electronic and magnetic properties of a BN sheet decorated with hydrogen and fluorine

(2010) Jian Zhou et al.   PHYSICAL REVIEW B

Elastic properties of hydrogenated graphene

(2010) Emiliano Cadelano et al.   PHYSICAL REVIEW B

Fluorographene: A Two-Dimensional Counterpart of Teflon

(2010) Rahul R. Nair et al.   Small

Structural and electronic properties of monolayer hydrogenated honeycomb III–V sheets from first-principles

(2010) Yanli Wang et al.   SOLID STATE COMMUNICATIONS

Piezoelectric aluminum nitride nanoelectromechanical actuators

(2009) Nipun Sinha et al.   APPLIED PHYSICS LETTERS

Ab initio molecular simulations with numeric atom-centered orbitals

(2009) Volker Blum et al.   COMPUTER PHYSICS COMMUNICATIONS

Ferromagnetism in Semihydrogenated Graphene Sheet

(2009) J. Zhou et al.   NANO LETTERS

The electronic properties of graphene

(2009) A. H. Castro Neto et al.   REVIEWS OF MODERN PHYSICS

Control of Graphene's Properties by Reversible Hydrogenation: Evidence for Graphane

(2009) D. C. Elias et al.   SCIENCE

Half metallicity along the edge of zigzag boron nitride nanoribbons

(2008) Fawei Zheng et al.   PHYSICAL REVIEW B

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

(2008) Atsushi Togo et al.   PHYSICAL REVIEW B

Self-Passivating Edge Reconstructions of Graphene

(2008) Pekka Koskinen et al.   PHYSICAL REVIEW LETTERS