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List of works by Xingfa Gao

A density functional theory study on the underwater adhesion of catechol onto a graphite surface

scientific article published on 21 December 2020

A nanoscale jigsaw-puzzle approach to large π-conjugated systems

scientific article

Activation of molecular oxygen by a metal-organic framework with open 2,2'-bipyridine for selective oxidation of saturated hydrocarbons

scientific article published on 08 November 2012

Amorphous structural models for graphene oxides

article

Carbon Spiral Helix: A Nanoarchitecture Derived from Monovacancy Defects in Graphene

scientific article published on 01 April 2010

Chemistry and physics of a single atomic layer: strategies and challenges for functionalization of graphene and graphene-based materials.

scientific article

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

Computational Study on the Mechanisms of Multiple Complexation of CO and Isonitrile Ligands to Boron

scientific article published on 17 March 2017

Density functional theory study on the cross-linking of mussel adhesive proteins

scientific article published on 20 April 2015

Dichlorocarbene addition to C60 from the trichloromethyl anion: carbene mechanism or Bingel mechanism?

scientific article published in April 2009

Electron Pair Repulsion Responsible for the Peculiar Edge Effects and Surface Chemistry of Black Phosphorus.

scientific article published on 7 February 2018

Facet Energy versus Enzyme-like Activities: The Unexpected Protection of Palladium Nanocrystals against Oxidative Damage.

scientific article published on 9 November 2016

Gd-metallofullerenol nanomaterial as non-toxic breast cancer stem cell-specific inhibitor

scientific article

Highly selective and simple synthesis of C(2)(m)--X--C(2)(n) fullerene dimers.

scientific article

Immobilized Ferrous Ion and Glucose Oxidase on Graphdiyne and Its Application on One-Step Glucose Detection

scientific article published on 30 April 2018

Influences of Structural Properties on Stability of Fullerenols

scientific article published in August 2004

Mechanism and dynamic correlation effects in cycloaddition reactions of singlet difluorocarbene to alkenes and disilene

scientific article published in September 2009

Mechanism of pH-switchable peroxidase and catalase-like activities of gold, silver, platinum and palladium

scientific article published on 09 February 2015

Mechanisms of Antioxidant Activities of Fullerenols from First-Principles Calculation

scientific article published on 03 October 2018

Metal-like Boronic-Organic Frameworks: A Design and Computation.

scientific article published on 10 February 2017

Methanol-Assisted Phthalimide Ring Opening: Concerted or Stepwise Mechanism?

scientific article

Molecular-level insights into intrinsic peroxidase-like activity of nanocarbon oxides

scientific article published on 20 November 2014

Nitrogen-Doped Carbon Nanomaterials as Highly Active and Specific Peroxidase Mimics

scientific article published on 20 August 2018

Noise Amplification in Human Tumor Suppression following Gamma Irradiation ⬇️

scientific article published on August 5, 2011

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

scientific article published on 07 June 2011

Opening a large band gap for graphene by covalent addition

Origins of the peroxidase mimicking activities of graphene oxide from first principles

scientific article published on 16 September 2020

Oxidation Unzipping of Stable Nanographenes into Joint Spin-Rich Fragments

scientific article published on 01 July 2009

Oxidation-induced water-solubilization and chemical functionalization of fullerenes C60, Gd@C60 and Gd@C82: atomistic insights into the formation mechanisms and structures of fullerenols synthesized by different methods

scientific article published on February 2015

Phase diagram of graphene nanoribbons and band-gap bifurcation of Dirac fermions under quantum confinement

scholarly article in Physical Review B, vol. 85 no. 19, May 2012

Photochemical addition of C60 with siliranes: synthesis and characterization of carbosilylated and hydrosilylated C60 derivatives

scientific article published on 01 September 2010

Photochemical and photophysical properties of three carbon-bridged fullerene dimers: C121 (I, II, III)

scientific article published on 17 May 2007

Regioselectivity control of graphene functionalization by ripples

scientific article published on 04 October 2011

Rotation motion of designed nano-turbine.

scientific article published on 28 July 2014

Simultaneous enzyme mimicking and chemical reduction mechanisms for nanoceria as a bio-antioxidant: a catalytic model bridging computations and experiments for nanozymes

scientific article published on 09 July 2019

Single layer of polymeric cobalt phthalocyanine: promising low-cost and high-activity nanocatalysts for CO oxidation

scientific article published on 15 April 2013

Structure and catalytic activities of ferrous centers confined on the interface between carbon nanotubes and humic acid.

scientific article published in February 2015

Synthesis and characterization of C70-corrole--a new electron transfer dyad

scientific article published on 01 July 2014

The inhibition of migration and invasion of cancer cells by graphene via the impairment of mitochondrial respiration.

scientific article

The non-covalent assembly of benzene-bridged metallosalphen dimers: photoconductive tapes with large carrier mobility and spatially distinctive conduction anisotropy

article

The way of stabilizing non-IPR fullerenes and structural elucidation of C(54)Cl(8)

scientific article published on 01 March 2007

Theoretical Insights into the Structures of Graphene Oxide and Its Chemical Conversions Between Graphene

article

Theoretical studies of structures and stabilities of a new odd-numbered fullerene dimer: C141.

scientific article published on December 2004

Theoretical study on the ground state structure of uranofullerene U@C82

scientific article published on 15 November 2012

Tight-binding description of graphyne and its two-dimensional derivatives

scientific article

Tuning electronic properties of metallic atom in bondage to a nanospace

scientific article

Two-dimensional carbon compounds derived from graphyne with chemical properties superior to those of graphene

scientific article published on January 2013

Unraveling Stress-Induced Toxicity Properties of Graphene Oxide and the Underlying Mechanism

article

[2+1] Cycloaddition of nitrene onto C60 revisited: interconversion between an aziridinofullerene and an azafulleroid

scientific article published on 01 January 2008

Π-Bond maximization of graphene in hydrogen addition reactions

scientific article published on 09 December 2011

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