List of works - Zhongfang Chen

Theoretical Studies on the Substitution Patterns in Heterofullerenes C70-xNxand C70-xBx(x= 2−10)

Chemical Sharpening, Shortening, and Unzipping of Boron Nitride Nanotubes

article

First total synthesis of the (±)-2-methoxy-6-heptadecynoic acid and related 2-methoxylated analogs as effective inhibitors of the leishmania topoisomerase IB enzyme

scientific article

Oxidative Etching of Hexagonal Boron Nitride Toward Nanosheets with Defined Edges and Holes

scientific article

Atomic and Electronic Structures of Fluorinated BN Nanotubes: Computational Study

scientific article published on 01 December 2006

Many M©Bn boron wheels are local, but not global minima

scientific article published on 13 September 2012

Theoretical studies on the smallest fullerene: from monomer to oligomers and solid States

scientific article published in February 2004

Theoretical investigation into structures and magnetic properties of smaller fullerenes and their heteroanalogues

Preparation of [5,6]- and [6,6]-oxahomofullerene derivatives and their interconversion by Lewis acid assisted reactions of fullerene mixed peroxides

scientific article published in September 2005

Dirac Nodal Lines and Tilted Semi-Dirac Cones Coexisting in a Striped Boron Sheet.

scientific article published on 31 March 2017

Ti-Substituted Boranes as Hydrogen Storage Materials: A Computational Quest for the Ideal Combination of Stable Electronic Structure and Optimal Hydrogen Uptake

scientific article published on 01 June 2009

BN-Doped Fullerenes: An NICS Characterization

scientific article published on 01 May 2001

Open-Shell Singlet Character of Stable Derivatives of Nonacene, Hexacene and Teranthene

scientific article published on 07 June 2011

Comparative density functional theory study on the electronic and optical properties of BiMO4 (M = V, Nb, Ta)

Spherical Sila- and Germa-Homoaromaticity

scientific article published in 2003

Component Matters: Paving the Roadmap toward Enhanced Electrocatalytic Performance of Graphitic C3N4-Based Catalysts via Atomic Tuning

scientific article published on 12 June 2017

Metallic BSi3 Silicene: A Promising High Capacity Anode Material for Lithium-Ion Batteries

article published in 2014

Sodium and Magnesium Complexes with Dianionic α-Diimine Ligands

scholarly article by Yanyan Liu et al published 24 November 2008 in Organometallics

Designing high-voltage carbonyl-containing polycyclic aromatic hydrocarbon cathode materials for Li-ion batteries guided by Clar's theory

Toward enhanced activity of a graphitic carbon nitride-based electrocatalyst in oxygen reduction and hydrogen evolution reactions via atomic sulfur doping

Aromaticity and Antiaromaticity in Zintl Clusters

scientific article published on 11 July 2018

Density functional theory studies of inorganic metallocene multidecker V(n)(P(6))(n+1) (n=1-4) sandwich clusters

scientific article published in March 2008

A theoretical and structural investigation of thiocarbon anions

scientific article published in November 2003

High-Performance Ru1 /CeO2 Single-Atom Catalyst for CO Oxidation: A Computational Exploration

scientific article published on 30 June 2016

Aromatic stabilization in heterofullerenes C48X12(X = N, P, B, Si)

Fullerenes C36n (n=0,2+,2−) and their B- and N-doped analogues

Surface Engineering of Graphene-Enzyme Nanocomposites for Miniaturized Biofuel Cell

Not your familiar two dimensional transition metal disulfide: structural and electronic properties of the PdS2 monolayer

Preserving the edge magnetism of zigzag graphene nanoribbons by ethylene termination: insight by Clar's rule

scientific article published on January 2013

On the viability of small endohedral hydrocarbon cage complexes: X@C4H4, X@C8H8, X@C8H14, X@C10H16, X@C12H12, AND X@C16H16.

scientific article

Size- and Surface-dependent Stability, Electronic Properties, and Potential as Chemical Sensors: Computational Studies on One-dimensional ZnO Nanostructures

Investigation of a Putative Möbius Aromatic Hydrocarbon. The Effect of Benzannelation on Möbius [4n]Annulene Aromaticity

scientific article (publication date: March 2005)

Computational studies on hydrogen storage in aluminum nitride nanowires/tubes

scientific article published on 06 May 2009

Comparative Study of Carbon and BN Nanographenes: Ground Electronic States and Energy Gap Engineering

Fullerene Anions of Different Sizes and Shapes: A13C NMR and Density-Functional Study

What is the best density functional to describe water clusters: evaluation of widely used density functionals with various basis sets for (H2O) n (n = 1–10)

article by Fengyu Li et al published 27 July 2011 in Theoretical Chemistry Accounts

Predicting a graphene-like WB4 nanosheet with a double Dirac cone, an ultra-high Fermi velocity and significant gap opening by spin-orbit coupling.

scientific article published on 6 February 2017

Structures and magnetic properties of mono-doped fullerenes C59X n and C59X(6−n)− (X=B−, N+, P+, As+, Si): isoelectronic analogues of C60 and C60 6−

Hole-Mediated Hydrogen Spillover Mechanism in Metal-Organic Frameworks

scientific article published in Physical Review Letters

Insight into the Origin of Boosted Photosensitive Efficiency of Graphene from the Cooperative Experiment and Theory Study

Isomerism and aromaticity of heterofullerene C 70- n P n ( n =2-10)

scientific article published on 01 July 2002

Tuning spectral properties of fullerenes by substitutional doping

scholarly article in Physical Review B, vol. 69 no. 20, May 2004

Reduced Li diffusion barriers in composite BC3 nanotubes

Theoretical design of MoO3-based high-rate lithium ion battery electrodes: the effect of dimensionality reduction

Two-Dimensional Y2C Electride: A Promising Anode Material for Na-Ion Batteries

How does the B,F-monodoping and B/F-codoping affect the photocatalytic water-splitting performance of g-C3N4?

scientific article published in July 2016

Oxa- and thia-fullerenes (C59O, C59S): Closed or opened cages?

Electronic and Magnetic Properties of Hybrid Graphene Nanoribbons with Zigzag-Armchair Heterojunctions

SEARCHING FOR NEW MEMBERS OF C70 HOMOFULLERENES BY FIRST-PRINCIPLES COMPUTATIONS: BENT'S RULE AT WORK ON C70 SURFACE

article published in 2013

Evolution of Moiré Profiles from van der Waals Superstructures of Boron Nitride Nanosheets

scientific article

List of works by Zhongfang Chen

Theoretical Studies on the Substitution Patterns in Heterofullerenes C70-xNxand C70-xBx(x= 2−10)

Chemical Sharpening, Shortening, and Unzipping of Boron Nitride Nanotubes

First total synthesis of the (±)-2-methoxy-6-heptadecynoic acid and related 2-methoxylated analogs as effective inhibitors of the leishmania topoisomerase IB enzyme

Oxidative Etching of Hexagonal Boron Nitride Toward Nanosheets with Defined Edges and Holes

Atomic and Electronic Structures of Fluorinated BN Nanotubes: Computational Study

Many M©Bn boron wheels are local, but not global minima

Theoretical studies on the smallest fullerene: from monomer to oligomers and solid States

Theoretical investigation into structures and magnetic properties of smaller fullerenes and their heteroanalogues

Preparation of [5,6]- and [6,6]-oxahomofullerene derivatives and their interconversion by Lewis acid assisted reactions of fullerene mixed peroxides

Dirac Nodal Lines and Tilted Semi-Dirac Cones Coexisting in a Striped Boron Sheet.

Ti-Substituted Boranes as Hydrogen Storage Materials: A Computational Quest for the Ideal Combination of Stable Electronic Structure and Optimal Hydrogen Uptake

BN-Doped Fullerenes: An NICS Characterization

Open-Shell Singlet Character of Stable Derivatives of Nonacene, Hexacene and Teranthene

Comparative density functional theory study on the electronic and optical properties of BiMO4 (M = V, Nb, Ta)

Spherical Sila- and Germa-Homoaromaticity

Component Matters: Paving the Roadmap toward Enhanced Electrocatalytic Performance of Graphitic C3N4-Based Catalysts via Atomic Tuning

Metallic BSi3 Silicene: A Promising High Capacity Anode Material for Lithium-Ion Batteries

Sodium and Magnesium Complexes with Dianionic α-Diimine Ligands

Designing high-voltage carbonyl-containing polycyclic aromatic hydrocarbon cathode materials for Li-ion batteries guided by Clar's theory

Toward enhanced activity of a graphitic carbon nitride-based electrocatalyst in oxygen reduction and hydrogen evolution reactions via atomic sulfur doping

Aromaticity and Antiaromaticity in Zintl Clusters

Density functional theory studies of inorganic metallocene multidecker V(n)(P(6))(n+1) (n=1-4) sandwich clusters

A theoretical and structural investigation of thiocarbon anions

High-Performance Ru1 /CeO2 Single-Atom Catalyst for CO Oxidation: A Computational Exploration

Aromatic stabilization in heterofullerenes C48X12(X = N, P, B, Si)

Fullerenes C36n (n=0,2+,2−) and their B- and N-doped analogues

Surface Engineering of Graphene-Enzyme Nanocomposites for Miniaturized Biofuel Cell

Not your familiar two dimensional transition metal disulfide: structural and electronic properties of the PdS2 monolayer

Preserving the edge magnetism of zigzag graphene nanoribbons by ethylene termination: insight by Clar's rule

On the viability of small endohedral hydrocarbon cage complexes: X@C4H4, X@C8H8, X@C8H14, X@C10H16, X@C12H12, AND X@C16H16.

Size- and Surface-dependent Stability, Electronic Properties, and Potential as Chemical Sensors: Computational Studies on One-dimensional ZnO Nanostructures

Investigation of a Putative Möbius Aromatic Hydrocarbon. The Effect of Benzannelation on Möbius [4n]Annulene Aromaticity

Computational studies on hydrogen storage in aluminum nitride nanowires/tubes

Comparative Study of Carbon and BN Nanographenes: Ground Electronic States and Energy Gap Engineering

Fullerene Anions of Different Sizes and Shapes: A13C NMR and Density-Functional Study

What is the best density functional to describe water clusters: evaluation of widely used density functionals with various basis sets for (H2O) n (n = 1–10)

Predicting a graphene-like WB4 nanosheet with a double Dirac cone, an ultra-high Fermi velocity and significant gap opening by spin-orbit coupling.

Structures and magnetic properties of mono-doped fullerenes C59X n and C59X(6−n)− (X=B−, N+, P+, As+, Si): isoelectronic analogues of C60 and C60 6−

Hole-Mediated Hydrogen Spillover Mechanism in Metal-Organic Frameworks

Insight into the Origin of Boosted Photosensitive Efficiency of Graphene from the Cooperative Experiment and Theory Study

Isomerism and aromaticity of heterofullerene C 70- n P n ( n =2-10)

Tuning spectral properties of fullerenes by substitutional doping

Reduced Li diffusion barriers in composite BC3 nanotubes

Theoretical design of MoO3-based high-rate lithium ion battery electrodes: the effect of dimensionality reduction

Two-Dimensional Y2C Electride: A Promising Anode Material for Na-Ion Batteries

How does the B,F-monodoping and B/F-codoping affect the photocatalytic water-splitting performance of g-C3N4?

Oxa- and thia-fullerenes (C59O, C59S): Closed or opened cages?

Electronic and Magnetic Properties of Hybrid Graphene Nanoribbons with Zigzag-Armchair Heterojunctions

SEARCHING FOR NEW MEMBERS OF C70 HOMOFULLERENES BY FIRST-PRINCIPLES COMPUTATIONS: BENT'S RULE AT WORK ON C70 SURFACE

Evolution of Moiré Profiles from van der Waals Superstructures of Boron Nitride Nanosheets