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List of works by Zhongfang Chen

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NC unit trapped by fullerenes: a density functional theory study on Sc3NC@C(2n) (2n = 68, 78 and 80).

scientific article published on 8 June 2010
Two-dimensional iron-phthalocyanine (Fe-Pc) monolayer as a promising single-atom-catalyst for oxygen reduction reaction: a computational study.

scientific article published on 22 June 2015
Appropriate description of intermolecular interactions in the methane hydrates: an assessment of DFT methods

scientific article published on 5 September 2012
Semi-metallic Be5C2 monolayer global minimum with quasi-planar pentacoordinate carbons and negative Poisson's ratio

scientific article
Boron fullerenes with 32–56 atoms: Irregular cage configurations and electronic properties

scholarly article by Lu Wang et al published December 2010 in Chemical Physics Letters
Carbon atoms trapped in cages: Metal carbide clusterfullerenes

Tuning band gaps of BN nanosheets and nanoribbons via interfacial dihalogen bonding and external electric field

scientific article published in August 2014
Myriad Planar Hexacoordinate Carbon Molecules Inviting Synthesis

scientific article published on 01 February 2007
Endohedral chemical shifts in higher fullerenes with 72-86 carbon atoms

article by Zhongfang Chen et al published 1 October 2001 in Theoretical Chemistry Accounts
XH/π (X = C, Si) Interactions in Graphene and Silicene: Weak in Strength, Strong in Tuning Band Structures

scientific article published on 31 December 2012
Spherical Aromaticity of Inorganic Cage Molecules

scientific article published in August 2001
Single Layer Bismuth Iodide: Computational Exploration of Structural, Electrical, Mechanical and Optical Properties

scientific article
Oxidation Unzipping of Stable Nanographenes into Joint Spin-Rich Fragments

scientific article published on 01 July 2009
Semiconductor-topological insulator transition of two-dimensional SbAs induced by biaxial tensile strain

scholarly article in Physical Review B, vol. 93 no. 24, June 2016
Computational investigation on the endohedral borofullerenes M@B40 (M = Sc, Y, La)

article published in 2015
The 2(N+1)2 rule for spherical aromaticity: further validation

Tuning electronic and magnetic properties of MoO3 sheets by cutting, hydrogenation, and external strain: a computational investigation

scientific article published on 01 June 2013
Do Composite Single-Walled Nanotubes Have Enhanced Capability for Lithium Storage?

article published in 2005
Homoconjugation/Homoaromaticity in Main Group Inorganic Molecules

scientific article published on 01 July 2009
Planar tetracoordinate carbon species involving beryllium substituents

scientific article published on 19 January 2008
Band gap engineering of BN sheets by interlayer dihydrogen bonding and electric field control

scientific article published on 19 April 2013
Accuracy of density functional theory methods for weakly bonded systems: The case of dihydrogen binding on metal centers

scholarly article in Physical Review B, vol. 82 no. 7, August 2010
Versatile Electronic Properties of VSe2 Bulk, Few-Layers, Monolayer, Nanoribbons, and Nanotubes: A Computational Exploration

CO oxidation on TiO(2) (110) supported subnanometer gold clusters: size and shape effects

scientific article published on 11 December 2013
Predicting a new phase (T'') of two-dimensional transition metal di-chalcogenides and strain-controlled topological phase transition

scientific article published in December 2015
Innovation and discovery of graphene-like materials via density-functional theory computations

article
Tuning Electronic Properties of Germanane Layers by External Electric Field and Biaxial Tensile Strain: A Computational Study

Side-wall opening of single-walled carbon nanotubes (SWCNTs) by chemical modification: a critical theoretical study

scientific article
Addition of Carbene to the Equator of C70 To Produce the Most Stable C71H2 Isomer: 2 aH-2(12)a-Homo(C70-D5h(6))[5,6]fullerene

article
Mechanical properties and stabilities of α-boron monolayers

scientific article
Is C60 buckminsterfullerene aromatic?

article
A bifunctional strategy towards experimentally (synthetically) attainable molecules with planar tetracoordinate carbons

scientific article
Phosphorene as a promising anchoring material for lithium–sulfur batteries: a computational study

Flexible structural and electronic properties of a pentagonal B2C monolayer via external strain: a computational investigation

scientific article published on 28 August 2015
Carbon-Doped Boron Nitride Nanosheet: An Efficient Metal-Free Electrocatalyst for the Oxygen Reduction Reaction

article published in 2015
Homobenzene: homoaromaticity and homoantiaromaticity in cycloheptatrienes

scientific article published in October 2008
Endohedral metalloborofullerenes La2@B80 and Sc3N@B80: a density functional theory prediction

scientific article
Are Stone−Wales Defect Sites Always More Reactive Than Perfect Sites in the Sidewalls of Single-Wall Carbon Nanotubes?

scientific article published on 01 January 2005
Engineering the electronic structure of single-walled carbon nanotubes by chemical functionalization.

scientific article published in April 2005
"Benzation" of graphene upon addition of monovalent chemical species

scientific article
La2@C72 and Sc2@C72: computational characterizations

scientific article published on February 2006
Stone−Wales Defects in Single-Walled Boron Nitride Nanotubes:  Formation Energies, Electronic Structures, and Reactivity

Electron attachment to the hydrogenated Watson-Crick guanine cytosine base pair (GC+H): conventional and proton-transferred structures

scientific article published on 17 June 2008
Selectivity trend of gas separation through nanoporous graphene

An Effective Approach to Achieve a Spin Gapless Semiconductor-Half-Metal-Metal Transition in Zigzag Graphene Nanoribbons: Attaching A Floating Induced Dipole Field viaπ-πInteractions

Interactions between Al₁₂X (X = Al, C, N and P) nanoparticles and DNA nucleobases/base pairs: implications for nanotoxicity

scientific article published on 6 May 2011
Patterned Partially Hydrogenated Graphene (C4H) and Its One-Dimensional Analogues: A Computational Study

A Density Functional Theory Study of the Mechanical Properties of Graphane With van der Waals Corrections

Structure and bonding in the omnicapped truncated tetrahedral Au20 cluster: analogies between gold and carbon cluster chemistry

scientific article published in July 2004
Magnetic properties of atomic clusters and endohedral metallofullerenes

article published in 2015

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