List of works - Jingsong Huang

A Novel and Functional Single-Layer Sheet of ZnSe

scientific article published on 15 January 2015

A computational workflow for designing silicon donor qubits ⬇️

scientific article published on 19 September 2016

A fast scheme to calculate electronic couplings between P3HT polymer units using diabatic orbitals for charge transfer dynamics simulations

scientific article published on 12 December 2018

A physical catalyst for the electrolysis of nitrogen to ammonia.

scientific article published on 27 April 2018

A “counter-charge layer in generalized solvents” framework for electrical double layers in neat and hybrid ionic liquid electrolytes ⬇️

scientific article published on July 13, 2011

Ab Initio Predictions of Hexagonal Zr(B,C,N) Polymorphs for Coherent Interface Design

Ab Initio Predictions of Strong Interfaces in Transition-Metal Carbides and Nitrides for Superhard Nanocomposite Coating Applications

Ab initio investigation of the cyclodehydrogenation process for polyanthrylene transformation to graphene nanoribbons

scientific article published on 06 September 2019

Adsorption of Molecular Nitrogen in Electrical Double Layers near Planar and Atomically Sharp Electrodes

Atomistic Insight on the Charging Energetics in Subnanometer Pore Supercapacitors

Benzotrifuranone: Synthesis, Structure, and Access to Polycyclic Heteroaromatics

scientific article published on 01 October 2009

Boron Nitride Nanoribbons Become Metallic ⬇️

scientific article published on July 20, 2011

Chemical nature of ferroelastic twin domains in CH3NH3PbI3 perovskite

scientific article published on 27 August 2018

Complex Capacitance Scaling in Ionic Liquids-Filled Nanopores ⬇️

scientific article published on October 31, 2011

Controllable conversion of quasi-freestanding polymer chains to graphene nanoribbons

scientific article

Correction to Boron Nitride Nanoribbons Become Metallic

scholarly article published in Nano Letters

Correction to “Structures, Energetics, and Electronic Properties of Layered Materials and Nanotubes of Cadmium Chalcogenides”

scholarly article published in Journal of Physical Chemistry C

Curvature effects in carbon nanomaterials: Exohedral versus endohedral supercapacitors

Cyclo-biphenalenyl Biradicaloid Molecular Materials: Conformation, Tautomerization, Magnetism, and Thermochromism†

Density Functional Studies of Stoichiometric Surfaces of Orthorhombic Hybrid Perovskite CH3NH3PbI3

Deuteration as a Means to Tune Crystallinity of Conducting Polymers.

scientific article

Duality of the interfacial thermal conductance in graphene-based nanocomposites

scholarly article in Carbon, vol. 75, August 2014

Dynamic Charge Storage in Ionic Liquids-Filled Nanopores: Insight from a Computational Cyclic Voltammetry Study

scientific article

Dynamics of electrical double layer formation in room-temperature ionic liquids under constant-current charging conditions

scientific article

Effect of diffuse layer and pore shapes in mesoporous carbon supercapacitors

Effects of partial La filling and Sb vacancy defects on CoSb3 skutterudites

scholarly article in Physical Review B, vol. 95 no. 16, April 2017

Electric Field Effects on the Intermolecular Interactions in Water Whiskers: Insight from Structures, Energetics, and Properties

scientific article published on 03 March 2015

Electro-Induced Dewetting and Concomitant Ionic Current Avalanche in Nanopores

article by Xikai Jiang et al published 3 September 2013 in Journal of Physical Chemistry Letters

Electronic Structures and Charge Transport Properties of the Organic Semiconductor Bis[1,2,5]thiadiazolo-p-quinobis(1,3-dithiole), BTQBT, and Its Derivatives

scientific article published on 01 July 2005

Engineering Edge States of Graphene Nanoribbons for Narrow-Band Photoluminescence

scientific article published on 13 April 2020

Enhancing Ion Migration in Grain Boundaries of Hybrid Organic-Inorganic Perovskites by Chlorine

article

Fluxional sigma-bonds of 2,5,8-tri-tert-butyl-1,3-diazaphenalenyl dimers: stepwise [3,3], [5,5] and [7,7] sigmatropic rearrangements via pi-dimer intermediates

scientific article published on 23 March 2010

Identification of site-specific isotopic labels by vibrational spectroscopy in the electron microscope

scientific article published on 31 January 2019

Importance of Ion Packing on the Dynamics of Ionic Liquids during Micropore Charging

scientific article

Intermolecular Covalent π−π Bonding Interaction Indicated by Bond Distances, Energy Bands, and Magnetism in Biphenalenyl Biradicaloid Molecular Crystal

scientific article published on 01 February 2007

Intermolecular transfer integrals for organic molecular materials: can basis set convergence be achieved?

Ion Distribution in Electrified Micropores and Its Role in the Anomalous Enhancement of Capacitance

scientific article published on 01 April 2010

Ionic liquids-mediated interactions between nanorods

scientific article published in October 2017

Molecular Heterogeneity of Polystyrene-Modified Fullerene Core Stars

Molecular Structure and Dynamics of Interfacial Polymerized Ionic Liquids

Multicomponent Gas Storage in Organic Cage Molecules

Nitrogen Doping Enables Covalent-Like π-π Bonding between Graphenes

scientific article published on 10 July 2015

Non-Transition-Metal Catalytic System for N2 Reduction to NH3: A Density Functional Theory Study of Al-Doped Graphene.

scientific article published on 16 January 2018

One-Dimensional Metallic Conducting Pathway of Cyclohexyl-Substituted Spiro-Biphenalenyl Neutral Radical Molecular Crystal

scientific article published on 01 February 2006

Pancake π-π Bonding Goes Double: Unexpected 4e/All-Sites Bonding in Boron- and Nitrogen-Doped Phenalenyls

scientific article published on 8 June 2015

Publisher Correction: Reply to: On the ferroelectricity of CH3NH3PbI3 perovskites

scientific article published on 01 November 2019

Relevance of the Nuclear Quantum Effects on the Proton/Deuteron Transmission through Hexagonal Boron Nitride and Graphene Monolayers

article

Reply to: On the ferroelectricity of CH3NH3PbI3 perovskites

scientific article published on 16 September 2019

Selectively Deuterated Poly(ε-caprolactone)s: Synthesis and Isotope Effects on the Crystal Structures and Properties

Solvate Ionic Liquids at Electrified Interfaces

scientific article published on 12 September 2018

Solvent-type-dependent polymorphism and charge transport in a long fused-ring organic semiconductor

scientific article published on 11 November 2013

Spin crossover of spiro-biphenalenyl neutral radical molecular conductors

scientific article published in November 2003

Step edge-mediated assembly of periodic arrays of long graphene nanoribbons on Au(111)

scientific article published on 01 October 2019

Stepwise cope rearrangement of cyclo-biphenalenyl via an unusual multicenter covalent pi-bonded intermediate

scientific article

Strain-engineered optoelectronic properties of 2D transition metal dichalcogenide lateral heterostructures

Structure and Electronic Properties of Edge-Functionalized Armchair Boron Nitride Nanoribbons

Structure and charging kinetics of electrical double layers at large electrode voltages

Structure and dynamics of electrical double layers in organic electrolytes

scientific article published on 30 March 2010

Structures, Energetics, and Electronic Properties of Layered Materials and Nanotubes of Cadmium Chalcogenides

The importance of ion size and electrode curvature on electrical double layers in ionic liquids

scientific article

Theoretical Analysis of Intermolecular Covalent π−π Bonding and Magnetic Properties of Phenalenyl andspiro-Biphenalenyl Radical π-Dimers

scientific article published on 26 June 2007

Theoretical Model for Nanoporous Carbon Supercapacitors

scientific article published on 01 January 2008

Theoretical Predictions of Freestanding Honeycomb Sheets of Cadmium Chalcogenides

Theoretical assessment of the nuclear quantum effects on polymer crystallinity via perturbation theory and dynamics

article

Theoretical investigations of electrical transport properties in CoSb3 skutterudites under hydrostatic loadings

Thermodynamics and Kinetics of Gas Storage in Porous Liquids

scientific article published on 5 July 2016

Triphasic 2D Materials by Vertically Stacking Laterally Heterostructured 2H-/1T′-MoS2 on Graphene for Enhanced Photoresponse

Tuning from Half-Metallic to Semiconducting Behavior in SiC Nanoribbons

Tuning interfacial thermal conductance of graphene embedded in soft materials by vacancy defects

scientific article

Ultrathin Planar Graphene Supercapacitors

article

Validation of intermolecular transfer integral and bandwidth calculations for organic molecular materials

article

Voltage Dependent Charge Storage Modes and Capacity in Subnanometer Pores

scientific article published on 13 June 2012

List of works by Jingsong Huang

A Novel and Functional Single-Layer Sheet of ZnSe

A computational workflow for designing silicon donor qubits ⬇️

A fast scheme to calculate electronic couplings between P3HT polymer units using diabatic orbitals for charge transfer dynamics simulations

A physical catalyst for the electrolysis of nitrogen to ammonia.

A “counter-charge layer in generalized solvents” framework for electrical double layers in neat and hybrid ionic liquid electrolytes ⬇️

Ab Initio Predictions of Hexagonal Zr(B,C,N) Polymorphs for Coherent Interface Design

Ab Initio Predictions of Strong Interfaces in Transition-Metal Carbides and Nitrides for Superhard Nanocomposite Coating Applications

Ab initio investigation of the cyclodehydrogenation process for polyanthrylene transformation to graphene nanoribbons

Adsorption of Molecular Nitrogen in Electrical Double Layers near Planar and Atomically Sharp Electrodes

Atomistic Insight on the Charging Energetics in Subnanometer Pore Supercapacitors

Benzotrifuranone: Synthesis, Structure, and Access to Polycyclic Heteroaromatics

Boron Nitride Nanoribbons Become Metallic ⬇️

Chemical nature of ferroelastic twin domains in CH3NH3PbI3 perovskite

Complex Capacitance Scaling in Ionic Liquids-Filled Nanopores ⬇️

Controllable conversion of quasi-freestanding polymer chains to graphene nanoribbons

Correction to Boron Nitride Nanoribbons Become Metallic

Correction to “Structures, Energetics, and Electronic Properties of Layered Materials and Nanotubes of Cadmium Chalcogenides”

Curvature effects in carbon nanomaterials: Exohedral versus endohedral supercapacitors

Cyclo-biphenalenyl Biradicaloid Molecular Materials: Conformation, Tautomerization, Magnetism, and Thermochromism†

Density Functional Studies of Stoichiometric Surfaces of Orthorhombic Hybrid Perovskite CH3NH3PbI3

Deuteration as a Means to Tune Crystallinity of Conducting Polymers.

Duality of the interfacial thermal conductance in graphene-based nanocomposites

Dynamic Charge Storage in Ionic Liquids-Filled Nanopores: Insight from a Computational Cyclic Voltammetry Study

Dynamics of electrical double layer formation in room-temperature ionic liquids under constant-current charging conditions

Effect of diffuse layer and pore shapes in mesoporous carbon supercapacitors

Effects of partial La filling and Sb vacancy defects on CoSb3 skutterudites

Electric Field Effects on the Intermolecular Interactions in Water Whiskers: Insight from Structures, Energetics, and Properties

Electro-Induced Dewetting and Concomitant Ionic Current Avalanche in Nanopores

Electronic Structures and Charge Transport Properties of the Organic Semiconductor Bis[1,2,5]thiadiazolo-p-quinobis(1,3-dithiole), BTQBT, and Its Derivatives

Engineering Edge States of Graphene Nanoribbons for Narrow-Band Photoluminescence

Enhancing Ion Migration in Grain Boundaries of Hybrid Organic-Inorganic Perovskites by Chlorine

Fluxional sigma-bonds of 2,5,8-tri-tert-butyl-1,3-diazaphenalenyl dimers: stepwise [3,3], [5,5] and [7,7] sigmatropic rearrangements via pi-dimer intermediates

Identification of site-specific isotopic labels by vibrational spectroscopy in the electron microscope

Importance of Ion Packing on the Dynamics of Ionic Liquids during Micropore Charging

Intermolecular Covalent π−π Bonding Interaction Indicated by Bond Distances, Energy Bands, and Magnetism in Biphenalenyl Biradicaloid Molecular Crystal

Intermolecular transfer integrals for organic molecular materials: can basis set convergence be achieved?

Ion Distribution in Electrified Micropores and Its Role in the Anomalous Enhancement of Capacitance

Ionic liquids-mediated interactions between nanorods

Molecular Heterogeneity of Polystyrene-Modified Fullerene Core Stars

Molecular Structure and Dynamics of Interfacial Polymerized Ionic Liquids

Multicomponent Gas Storage in Organic Cage Molecules

Nitrogen Doping Enables Covalent-Like π-π Bonding between Graphenes

Non-Transition-Metal Catalytic System for N2 Reduction to NH3: A Density Functional Theory Study of Al-Doped Graphene.

One-Dimensional Metallic Conducting Pathway of Cyclohexyl-Substituted Spiro-Biphenalenyl Neutral Radical Molecular Crystal

Pancake π-π Bonding Goes Double: Unexpected 4e/All-Sites Bonding in Boron- and Nitrogen-Doped Phenalenyls

Publisher Correction: Reply to: On the ferroelectricity of CH3NH3PbI3 perovskites

Relevance of the Nuclear Quantum Effects on the Proton/Deuteron Transmission through Hexagonal Boron Nitride and Graphene Monolayers

Reply to: On the ferroelectricity of CH3NH3PbI3 perovskites

Selectively Deuterated Poly(ε-caprolactone)s: Synthesis and Isotope Effects on the Crystal Structures and Properties

Solvate Ionic Liquids at Electrified Interfaces

Solvent-type-dependent polymorphism and charge transport in a long fused-ring organic semiconductor

Spin crossover of spiro-biphenalenyl neutral radical molecular conductors

Step edge-mediated assembly of periodic arrays of long graphene nanoribbons on Au(111)

Stepwise cope rearrangement of cyclo-biphenalenyl via an unusual multicenter covalent pi-bonded intermediate

Strain-engineered optoelectronic properties of 2D transition metal dichalcogenide lateral heterostructures

Structure and Electronic Properties of Edge-Functionalized Armchair Boron Nitride Nanoribbons

Structure and charging kinetics of electrical double layers at large electrode voltages

Structure and dynamics of electrical double layers in organic electrolytes

Structures, Energetics, and Electronic Properties of Layered Materials and Nanotubes of Cadmium Chalcogenides

The importance of ion size and electrode curvature on electrical double layers in ionic liquids

Theoretical Analysis of Intermolecular Covalent π−π Bonding and Magnetic Properties of Phenalenyl andspiro-Biphenalenyl Radical π-Dimers

Theoretical Model for Nanoporous Carbon Supercapacitors

Theoretical Predictions of Freestanding Honeycomb Sheets of Cadmium Chalcogenides

Theoretical assessment of the nuclear quantum effects on polymer crystallinity via perturbation theory and dynamics

Theoretical investigations of electrical transport properties in CoSb3 skutterudites under hydrostatic loadings

Thermodynamics and Kinetics of Gas Storage in Porous Liquids

Triphasic 2D Materials by Vertically Stacking Laterally Heterostructured 2H-/1T′-MoS2 on Graphene for Enhanced Photoresponse

Tuning from Half-Metallic to Semiconducting Behavior in SiC Nanoribbons

Tuning interfacial thermal conductance of graphene embedded in soft materials by vacancy defects

Ultrathin Planar Graphene Supercapacitors

Validation of intermolecular transfer integral and bandwidth calculations for organic molecular materials

Voltage Dependent Charge Storage Modes and Capacity in Subnanometer Pores