Lista de obras - Erjun Kan - Dominio Público Uruguay

"Narrow" graphene nanoribbons made easier by partial hydrogenation

scientific article published on 01 December 2009

A B-C-N hybrid porous sheet: an efficient metal-free visible-light absorption material

artículo científico publicado en 2014

A promising monolayer membrane for oxygen separation from harmful gases: nitrogen-substituted polyphenylene

scientific article published on 01 September 2014

A promising way to open an energy gap in bilayer graphene

scientific article published on 01 October 2015

Accurate K-edge X-ray photoelectron and absorption spectra of g-C3N4 nanosheets by first-principles simulations and reinterpretations

scientific article published on 01 October 2019

Analysis of the magnetic structure and ferroelectric polarization of monoclinic MnSb(2)S(4) by density functional theory calculations

artículo científico publicado en 2010

Atomically Thin Transition-Metal Dinitrides: High-Temperature Ferromagnetism and Half-Metallicity.

artículo científico publicado en 2015

Boron-substituted graphyne as a versatile material with high storage capacities of Li and H2: a multiscale theoretical study

artículo científico publicado en 2013

Cobalt Sulfide/Graphene Composite Hydrogel as Electrode for High-Performance Pseudocapacitors.

artículo científico

Density functional theory analysis of the interplay between Jahn-Teller instability, uniaxial magnetism, spin arrangement, metal-metal interaction, and spin-orbit coupling in Ca3CoMO6 (M = Co, Rh, Ir).

artículo científico publicado en 2011

Discovery of twin orbital-order phases in ferromagnetic semiconducting VI3 monolayer

artículo científico publicado en 2020

Effect of Coulomb Correlation on the Magnetic Properties of Mn Clusters.

artículo científico publicado en 2018

Electronic structure of atomic Ti chains on semiconducting graphene nanoribbons: a first-principles study

scientific article published on 01 October 2007

Ferroelectricity in perovskites with s0 A-site cations: toward near-room-temperature multiferroics.

artículo científico publicado en 2010

First-principles investigations on the magnetic structure of α-NaMnO₂

scientific article published on 17 October 2012

First-principles study of interaction between H2 molecules and BN nanotubes with BN divacancies

scientific article published on 01 October 2007

General theory for the ferroelectric polarization induced by spin-spiral order.

artículo científico publicado en 2011

Half-Metallic Ferromagnetism and Large Negative Magnetoresistance in the New Lacunar Spinel GaTi3VS8

scientific article published on 01 April 2010

Half-Metallicity in Edge-Modified Zigzag Graphene Nanoribbons

artículo científico publicado en 2008

Half-Metallicity in Organic Single Porous Sheets

scientific article published on 27 March 2012

Half-metallicity in hybrid BCN nanoribbons

artículo científico publicado en 2008

High-Temperature Ferromagnetism in an Fe3P Monolayer with a Large Magnetic Anisotropy

scientific article published on 13 May 2019

Hydrogen Induced Etching Features of Wrinkled Graphene Domains

scientific article published on 28 June 2019

Improved permeability and selectivity in porous graphene for hydrogen purification

artículo científico publicado en 2014

Lithium-doped MOF impregnated with lithium-coated fullerenes: a hydrogen storage route for high gravimetric and volumetric uptakes at ambient temperatures

artículo científico publicado en 2011

MAGNETISM IN GRAPHENE SYSTEMS

article published in 2008

Mechanical, Electronic, and Magnetic Properties of NiX2 (X = Cl, Br, I) Layers

scientific article published on 22 March 2019

MnO2 nanorods intercalating graphene oxide/polyaniline ternary composites for robust high-performance supercapacitors.

artículo científico publicado en 2014

New Ferroelectric Phase in Atomic-Thick Phosphorene Nanoribbons: Existence of in-Plane Electric Polarization

artículo científico publicado en 2016

On the High Magnetic-Ordering Temperature of the 5d Magnetic Oxide Ca3LiOsO6Crystallizing in a Trigonal Crystal Structure: Density Functional Analysis

artículo científico publicado en 2011

On the Importance of the Interplaquette Spin Exchanges in Na3RuO4: Density Functional Theory Analysis of the Spin Exchange and Magnetic Properties

artículo científico publicado en 2010

Pi-back-donation effect of the cyanide ligands on the electron correlation and charge transfer in Prussian blue RbMn[Fe(CN)(6)].

artículo científico publicado en 2010

Prediction of Intrinsic Ferromagnetic Ferroelectricity in a Transition-Metal Halide Monolayer.

artículo científico publicado en 2018

Prediction of room-temperature ferromagnetism in a two-dimensional direct band gap semiconductor

artículo científico publicado en 2020

Quantum Phase Transition in Germanene and Stanene Bilayer: From Normal Metal to Topological Insulator.

artículo científico publicado en 2016

Realizing half-metallicity in K2CoF4 exfoliated nanosheets via defect engineering.

artículo científico publicado en 2016

Semiconducting Group 15 Monolayers: A Broad Range of Band Gaps and High Carrier Mobilities

artículo científico publicado en 2015

Site-selected doping in silicon nanowires by an external electric field

artículo científico publicado en 2011

Spin reorientation in the square-lattice antiferromagnets RMnAsO (R = Ce, Nd): density functional analysis of the spin-exchange interactions between the rare-earth and transition-metal ions

artículo científico publicado en 2012

Stability of graphitic-like zinc oxide layers under carriers doping: a first-principles study.

artículo científico publicado en 2013

Stabilization of the Metastable Lead Iodide Perovskite Phase via Surface Functionalization

artículo científico publicado en 2017

Superhalogens as building blocks of two-dimensional organic-inorganic hybrid perovskites for optoelectronics applications.

artículo científico publicado en 2016

Switchable encapsulation of polysulfides in the transition between sulfur and lithium sulfide

artículo científico publicado en 2020

Synthesis of Amorphous Carbon Film in Ethanol Inverse Diffusion Flames

scientific article published on 24 August 2018

The strain effect on colossal oxygen ionic conductivity in nanoscale zirconia electrolytes: a first-principles-based study.

artículo científico publicado en 2013

Theoretical Analysis of the Spin Exchange and Magnetic Dipole−Dipole Interactions Leading to the Magnetic Structure of Ni3TeO6

article

Toward Intrinsic Room-Temperature Ferromagnetism in Two-Dimensional Semiconductors

scientific article published on 30 August 2018

Towards direct-gap silicon phases by the inverse band structure design approach

artículo científico publicado en 2013

Tunable band gap and hydrogen adsorption property of a two-dimensional porous polymer by nitrogen substitution.

artículo científico publicado en 2012

Two-Dimensional Hexagonal Transition-Metal Oxide for Spintronics.

artículo científico publicado en 2013

Two-dimensional organometallic porous sheets with possible high-temperature ferromagnetism

artículo científico publicado en 2012

Two-dimensional silicon monolayers generated on c-BN(111) substrate.

artículo científico publicado en 2015

Ultra-High-Temperature Ferromagnetism in Intrinsic Tetrahedral Semiconductors

artículo científico publicado en 2019

Ultrathin molybdenum disulfide/carbon nitride nanosheets with abundant active sites for enhanced hydrogen evolution.

artículo científico publicado en 2018

Unzipping carbon nanotubes into nanoribbons upon oxidation: A first-principles study

scientific article published on 18 January 2012

Van der Waals bilayer antimonene: A promising thermophotovoltaic cell material with 31% energy conversion efficiency

Xiang et al. reply

artículo científico publicado en 2014

Lista de obras de Erjun Kan

"Narrow" graphene nanoribbons made easier by partial hydrogenation

A B-C-N hybrid porous sheet: an efficient metal-free visible-light absorption material

A promising monolayer membrane for oxygen separation from harmful gases: nitrogen-substituted polyphenylene

A promising way to open an energy gap in bilayer graphene

Accurate K-edge X-ray photoelectron and absorption spectra of g-C3N4 nanosheets by first-principles simulations and reinterpretations

Analysis of the magnetic structure and ferroelectric polarization of monoclinic MnSb(2)S(4) by density functional theory calculations

Atomically Thin Transition-Metal Dinitrides: High-Temperature Ferromagnetism and Half-Metallicity.

Boron-substituted graphyne as a versatile material with high storage capacities of Li and H2: a multiscale theoretical study

Cobalt Sulfide/Graphene Composite Hydrogel as Electrode for High-Performance Pseudocapacitors.

Density functional theory analysis of the interplay between Jahn-Teller instability, uniaxial magnetism, spin arrangement, metal-metal interaction, and spin-orbit coupling in Ca3CoMO6 (M = Co, Rh, Ir).

Discovery of twin orbital-order phases in ferromagnetic semiconducting VI3 monolayer

Effect of Coulomb Correlation on the Magnetic Properties of Mn Clusters.

Electronic structure of atomic Ti chains on semiconducting graphene nanoribbons: a first-principles study

Ferroelectricity in perovskites with s0 A-site cations: toward near-room-temperature multiferroics.

First-principles investigations on the magnetic structure of α-NaMnO₂

First-principles study of interaction between H2 molecules and BN nanotubes with BN divacancies

General theory for the ferroelectric polarization induced by spin-spiral order.

Half-Metallic Ferromagnetism and Large Negative Magnetoresistance in the New Lacunar Spinel GaTi3VS8

Half-Metallicity in Edge-Modified Zigzag Graphene Nanoribbons

Half-Metallicity in Organic Single Porous Sheets

Half-metallicity in hybrid BCN nanoribbons

High-Temperature Ferromagnetism in an Fe3P Monolayer with a Large Magnetic Anisotropy

Hydrogen Induced Etching Features of Wrinkled Graphene Domains

Improved permeability and selectivity in porous graphene for hydrogen purification

Lithium-doped MOF impregnated with lithium-coated fullerenes: a hydrogen storage route for high gravimetric and volumetric uptakes at ambient temperatures

MAGNETISM IN GRAPHENE SYSTEMS

Mechanical, Electronic, and Magnetic Properties of NiX2 (X = Cl, Br, I) Layers

MnO2 nanorods intercalating graphene oxide/polyaniline ternary composites for robust high-performance supercapacitors.

New Ferroelectric Phase in Atomic-Thick Phosphorene Nanoribbons: Existence of in-Plane Electric Polarization

On the High Magnetic-Ordering Temperature of the 5d Magnetic Oxide Ca3LiOsO6Crystallizing in a Trigonal Crystal Structure: Density Functional Analysis

On the Importance of the Interplaquette Spin Exchanges in Na3RuO4: Density Functional Theory Analysis of the Spin Exchange and Magnetic Properties

Pi-back-donation effect of the cyanide ligands on the electron correlation and charge transfer in Prussian blue RbMn[Fe(CN)(6)].

Prediction of Intrinsic Ferromagnetic Ferroelectricity in a Transition-Metal Halide Monolayer.

Prediction of room-temperature ferromagnetism in a two-dimensional direct band gap semiconductor

Quantum Phase Transition in Germanene and Stanene Bilayer: From Normal Metal to Topological Insulator.

Realizing half-metallicity in K2CoF4 exfoliated nanosheets via defect engineering.

Semiconducting Group 15 Monolayers: A Broad Range of Band Gaps and High Carrier Mobilities

Site-selected doping in silicon nanowires by an external electric field

Spin reorientation in the square-lattice antiferromagnets RMnAsO (R = Ce, Nd): density functional analysis of the spin-exchange interactions between the rare-earth and transition-metal ions

Stability of graphitic-like zinc oxide layers under carriers doping: a first-principles study.

Stabilization of the Metastable Lead Iodide Perovskite Phase via Surface Functionalization

Superhalogens as building blocks of two-dimensional organic-inorganic hybrid perovskites for optoelectronics applications.

Switchable encapsulation of polysulfides in the transition between sulfur and lithium sulfide

Synthesis of Amorphous Carbon Film in Ethanol Inverse Diffusion Flames

The strain effect on colossal oxygen ionic conductivity in nanoscale zirconia electrolytes: a first-principles-based study.

Theoretical Analysis of the Spin Exchange and Magnetic Dipole−Dipole Interactions Leading to the Magnetic Structure of Ni3TeO6

Toward Intrinsic Room-Temperature Ferromagnetism in Two-Dimensional Semiconductors

Towards direct-gap silicon phases by the inverse band structure design approach

Tunable band gap and hydrogen adsorption property of a two-dimensional porous polymer by nitrogen substitution.

Two-Dimensional Hexagonal Transition-Metal Oxide for Spintronics.

Two-dimensional organometallic porous sheets with possible high-temperature ferromagnetism

Two-dimensional silicon monolayers generated on c-BN(111) substrate.

Ultra-High-Temperature Ferromagnetism in Intrinsic Tetrahedral Semiconductors

Ultrathin molybdenum disulfide/carbon nitride nanosheets with abundant active sites for enhanced hydrogen evolution.

Unzipping carbon nanotubes into nanoribbons upon oxidation: A first-principles study

Van der Waals bilayer antimonene: A promising thermophotovoltaic cell material with 31% energy conversion efficiency

Xiang et al. reply