Two-dimensional carbon nitride (2DCN) nanosheets: Tuning of novel electronic and magnetic properties by hydrogenation, atom substitution and defect engineering

Single-Layer Janus-Type Platinum Dichalcogenides and Their Heterostructures

(2019) Z. Kahraman et al.   Journal of Physical Chemistry C

C3N Monolayer: Exploring the Emerging of Novel Electronic and Magnetic Properties with Adatom Adsorption, Functionalizations, Electric Field, Charging, and Strain

(2019) Asadollah Bafekry et al.   Journal of Physical Chemistry C

B-doped C3N monolayer: a robust catalyst for oxidation of carbon monoxide

(2019) Mehdi D. Esrafili et al.   THEORETICAL CHEMISTRY ACCOUNTS

Catalytic reduction of nitrous oxide over boron-doped C3N monolayers: A DFT study

(2019) Mehdi D. Esrafili et al.   CHEMICAL PHYSICS LETTERS

Exploiting the Novel Electronic and Magnetic Structure of C 3 N via Functionalization and Conformation

(2019) A. Bafekry et al.   Advanced Electronic Materials

Tunable electronic and magnetic properties of graphene/carbon-nitride van der Waals heterostructures

(2019) A. Bafekry et al.   APPLIED SURFACE SCIENCE

Adsorption of molecules on C3N nanosheet: A first-principles calculations

(2019) A. Bafekry et al.   CHEMICAL PHYSICS

Tuning the bandgap and introducing magnetism into monolayer BC3 by strain/defect engineering and adatom/molecule adsorption

(2019) Asadollah Bafekry et al.   JOURNAL OF APPLIED PHYSICS

A first-principles study of the effects of atom impurities, defects, strain, electric field and layer thickness on the electronic and magnetic properties of the C2N nanosheet

(2019) Asadollah Bafekry et al.   CARBON

A First‐Principles Study of C 3 N Nanostructures: Control and Engineering of the Electronic and Magnetic Properties of Nanosheets, Tubes and Ribbons

(2019) Asadollah Bafekry et al.   CHEMPHYSCHEM

Band gap and magnetism engineering in Dirac half-metallic Na2C nanosheet via layer thickness, strain and point defects

(2019) A. Bafekry et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

New predicted two-dimensional MXenes and their structural, electronic and lattice dynamical properties

(2019) Berna Akgenc   SOLID STATE COMMUNICATIONS

Band Engineering of Carbon Nitride Monolayers by N-Type, P-Type, and Isoelectronic Doping for Photocatalytic Applications

(2018) Meysam Makaremi et al.   ACS Applied Materials & Interfaces

Electrical and mechanical properties of a fully hydrogenated two-dimensional polyaniline sheet

(2018) Meysam Bagheri Tagani   COMPUTATIONAL MATERIALS SCIENCE

Prediction of two-dimensional nodal-line semimetals in a carbon nitride covalent network

(2018) Haiyuan Chen et al.   Journal of Materials Chemistry A

Polyaniline (C3N) nanoribbons: Magnetic metal, semiconductor, and half-metal

(2018) Meysam Bagheri Tagani et al.   JOURNAL OF APPLIED PHYSICS

Enhanced Stability of Single-Layer w-Gallenene through Hydrogenation

(2018) S. V. Badalov et al.   Journal of Physical Chemistry C

Tailoring the capability of carbon nitride (C3N) nanosheets toward hydrogen storage upon light transition metal decoration

(2018) Omar Faye et al.   NANOTECHNOLOGY

Exploring Doping Characteristics of Various Adatoms on Single-Layer Stanene

(2017) S. R. Naqvi et al.   Journal of Physical Chemistry C

Adsorption of Metallic, Metalloidic, and Nonmetallic Adatoms on Two-Dimensional C3N

(2017) Meysam Makaremi et al.   Journal of Physical Chemistry C

Magnetic two-dimensional C3N2 carbonitrides: semiconductors, metals and half-metals

(2017) Dimitrios Mpoutas et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Directional electron delivery via a vertical channel between g-C3N4 layers promotes photocatalytic efficiency

(2017) Jieyuan Li et al.   Journal of Materials Chemistry A

Synthesis and chemistry of elemental 2D materials

(2017) Andrew J. Mannix et al.   Nature Reviews Chemistry

Thermal conductivity and mechanical properties of nitrogenated holey graphene

(2016) Bohayra Mortazavi et al.   CARBON

The diverse electronic properties of C4N3monolayer under biaxial compressive strain: a theoretical study

(2016) Haiping Wu et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Controlled growth mechanism of poly (3-hexylthiophene) nanowires

(2016) D Kiymaz et al.   NANOTECHNOLOGY

Tuning electronic structures of the stanene monolayer via defects and transition-metal-embedding: spin–orbit coupling

(2016) Wenqi Xiong et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Functionalization of two-dimensional phthalo-carbonitride with metal atoms

(2016) Leonidas Tsetseris   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Nitrogenated, phosphorated and arsenicated monolayer holey graphenes

(2016) Mehmet Yagmurcukardes et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Two-dimensional polyaniline (C3N) from carbonized organic single crystals in solid state

(2016) Javeed Mahmood et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Highly Efficient Quantum Sieving in Porous Graphene-like Carbon Nitride for Light Isotopes Separation

(2016) Yuanyuan Qu et al.   Scientific Reports

Metal-free half-metallicity in a high energy phase C-doped gh-C3N4 system: a high Curie temperature planar system

(2016) Indrani Choudhuri et al.   Journal of Materials Chemistry C

Magnetism in phosphorene: Interplay between vacancy and strain

(2015) Sandhya Chintalapati et al.   APPLIED PHYSICS LETTERS

Spin-gapless semiconducting graphitic carbon nitrides: A theoretical design from first principles

(2015) Xiaoming Zhang et al.   CARBON

Defects in Phosphorene

(2015) Wei Hu et al.   Journal of Physical Chemistry C

Tunable ferromagnetic ordering in MoS2 nanosheets with fluorine adsorption

(2015) Daqiang Gao et al.   Nanoscale

Effects of stacking order, layer number and external electric field on electronic structures of few-layer C2N-h2D

(2015) Ruiqi Zhang et al.   Nanoscale

Tensile strain induced half-metallicity in graphene-like carbon nitride

(2015) Hengshuai Li et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Two-dimensional graphene-like C2N: an experimentally available porous membrane for hydrogen purification

(2015) B. Xu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Nitrogenated holey two-dimensional structures

(2015) Javeed Mahmood et al.   Nature Communications

Prediction of quantum anomalous Hall effect on graphene nanomesh

(2015) Xiaoming Zhang et al.   RSC Advances

C2N: an excellent two-dimensional monolayer membrane for He separation

(2015) Lei Zhu et al.   Journal of Materials Chemistry A

Porous Graphitic Carbon Nitride: A Possible Metal-free Photocatalyst for Water Splitting

(2014) K. Srinivasu et al.   Journal of Physical Chemistry C

Tunable band gap and doping type in silicene by surface adsorption: towards tunneling transistors

(2014) Zeyuan Ni et al.   Nanoscale

Topological insulator states in a honeycomb lattice of s-triazines

(2014) Aizhu Wang et al.   Nanoscale

Adsorption and photocatalytic splitting of water on graphitic carbon nitride: a combined first principles and semiempirical study

(2014) Jonas Wirth et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Graphene/g-C3N4 bilayer: considerable band gap opening and effective band structure engineering

(2014) Xinru Li et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Metal free half metallicity in 2D system: structural and magnetic properties of g-C4N3 on BN

(2014) Arqum Hashmi et al.   Scientific Reports

Transparent half metallic g-C4N3 nanotubes: potential multifunctional applications for spintronics and optical devices

(2014) Tao Hu et al.   Scientific Reports

Lithium-doped triazine-based graphitic C3N4 sheet for hydrogen storage at ambient temperature

(2013) Guizhi Zhu et al.   COMPUTATIONAL MATERIALS SCIENCE

Structures, mobilities, electronic and magnetic properties of point defects in silicene

(2013) Junfeng Gao et al.   Nanoscale

Stability and physical properties of a tri-ring based porous g-C4N3 sheet

(2013) Xiaowei Li et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Mn-doped monolayer MoS2: An atomically thin dilute magnetic semiconductor

(2013) Ashwin Ramasubramaniam et al.   PHYSICAL REVIEW B

Spin-polarization and ferromagnetism of graphitic carbon nitride materials

(2013) Xiaoming Zhang et al.   Journal of Materials Chemistry C

Graphitic carbon nitride materials: controllable synthesis and applications in fuel cells and photocatalysis

(2012) Yao Zheng et al.   Energy & Environmental Science

Giant magnetoresistance in silicene nanoribbons

(2012) Chengyong Xu et al.   Nanoscale

First-Principles Prediction of Metal-Free Magnetism and Intrinsic Half-Metallicity in Graphitic Carbon Nitride

(2012) Aijun Du et al.   PHYSICAL REVIEW LETTERS

First-principles prediction of an intrinsic half-metallic graphitic hydrogenated carbon nitride

(2012) Huanhuan Qiu et al.   PHYSICS LETTERS A

Ordered Semiconducting Nitrogen-Graphene Alloys

(2012) H. J. Xiang et al.   Physical Review X

Nanoporous Graphitic-C3N4@Carbon Metal-Free Electrocatalysts for Highly Efficient Oxygen Reduction

(2011) Yao Zheng et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

First-principles studies of structural and electronic properties of layered C3N phases

(2011) Qianku Hu et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Structural Defects in Graphene

(2010) Florian Banhart et al.   ACS Nano

CO Catalytic Oxidation on Iron-Embedded Graphene: Computational Quest for Low-Cost Nanocatalysts

(2010) Yafei Li et al.   Journal of Physical Chemistry C

Unique Electronic Structure Induced High Photoreactivity of Sulfur-Doped Graphitic C3N4

(2010) Gang Liu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Electrochemical Oxygen Reduction Activity of Carbon Nitride Supported on Carbon Black

(2010) S. M. Lyth et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Efficient implementation of the nonequilibrium Green function method for electronic transport calculations

(2010) Taisuke Ozaki et al.   PHYSICAL REVIEW B

First-principles investigation of graphene fluoride and graphane

(2010) O. Leenaerts et al.   PHYSICAL REVIEW B

Missing Atom as a Source of Carbon Magnetism

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

Carbon Nitride as a Nonprecious Catalyst for Electrochemical Oxygen Reduction

(2009) Stephen M. Lyth et al.   Journal of Physical Chemistry C

The electronic properties of graphene

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

Graphitic carbon nitride materials: variation of structure and morphology and their use as metal-free catalysts

(2008) Arne Thomas et al.   JOURNAL OF MATERIALS CHEMISTRY

Symmetry Breaking Induced Bandgap in Epitaxial Graphene Layers on SiC

(2008) Xiangyang Peng et al.   NANO LETTERS

A metal-free polymeric photocatalyst for hydrogen production from water under visible light

(2008) Xinchen Wang et al.   NATURE MATERIALS