Advanced search

Authors whose works are in public domain in at least one jurisdiction

List of works by Zhongfang Chen

151-200 of 214 results

View this query on the Wikidata Query Service
Unveiling Adsorption Mechanisms of Organic Pollutants onto Carbon Nanomaterials by Density Functional Theory Computations and Linear Free Energy Relationship Modeling

scientific article published on 11 September 2017
Tackling the Activity and Selectivity Challenges of Electrocatalysts toward the Nitrogen Reduction Reaction via Atomically Dispersed Biatom Catalysts

scientific article published on 16 March 2020
Mechanical properties and stabilities of g-ZnS monolayers

scholarly article in RSC Advances, vol. 5 no. 15, 2015
Computational investigation on MB n (M = Li-Cs, Be-Ba, Sc-La and Ti; n = 28 and 38).

scientific article published on 16 July 2016
Frustrated Lewis Pair Catalysts in Two Dimensions: B/Al-Doped Phosphorenes as Promising Catalysts for Hydrogenation of Small Unsaturated Molecules

The dimensional and hydrogenating effect on the electronic properties of ZnSe nanomaterials: a computational investigation

Self-Modulated Band Structure Engineering in C4F Nanosheets: First-Principles Insights

scientific article
Metallic BSi3 Silicene and Its One-Dimensional Derivatives: Unusual Nanomaterials with Planar Aromatic D6h Six-Membered Silicon Rings

Single-Layer [Cu2Br(IN)2]n Coordination Polymer (CP): Electronic and Magnetic Properties, and Implication for Molecular Sensors

Design of three-shell icosahedral matryoshka clusters A@B₁₂@A2₂₀ (A = Sn, Pb; B = Mg, Zn, Cd, Mn)

scientific article
Versatile Electronic and Magnetic Properties of Corrugated V2O5 Two-Dimensional Crystal and Its Derived One-Dimensional Nanoribbons: A Computational Exploration

Theoretical design of novel trinuclear sandwich complexes with central M3 triangles (M = Ni, Pd, Pt).

scientific article published in March 2011
Copper Dimer Supported on a C2N Layer as an Efficient Electrocatalyst for CO2 Reduction Reaction: A Computational Study

Highly Efficient Photocatalytic Degradation of Dyes by a Copper-Triazolate Metal-Organic Framework

scientific article published on 18 October 2018
From Vanadium Naphthalene (Vn–1Npn) Sandwich Clusters to VNp Sandwich Nanowire: Structural, Energetic, Electronic, and Magnetic Properties

scientific article published on 03 February 2012
Dichlorocarbene addition to C60 from the trichloromethyl anion: carbene mechanism or Bingel mechanism?

scientific article published in April 2009
Mn monolayer modified Rh for syngas-to-ethanol conversion: a first-principles study

scientific article published on 09 November 2011
Improved stability of water clusters (H2O)30–48: a Monte Carlo search coupled with DFT computations

Combined experimental and theoretical study of small aluminum oxygen clusters

scholarly article by S. Neukermans et al published 5 October 2007 in European Physical Journal D
PdSeO3 Monolayer: Promising Inorganic 2D Photocatalyst for Direct Overall Water Splitting Without Using Sacrificial Reagents and Cocatalysts

scientific article published on 12 September 2018
Study on the optical and magnetic properties of C48N12azafullerene isomers

With the same Clar formulas, do the two-dimensional sandwich nanostructures X–Cr–X (X = C4H, NC3 and BC3) behave similarly?

article
Computational quest for spherical C12B68 fullerenes with “magic” π-electrons and quasi-planar tetra-coordinated carbon

scientific article published on 14 February 2014
Theoretical Insights into the Structures of Graphene Oxide and Its Chemical Conversions Between Graphene

article
Scandium carbides/cyanides in the boron cage: computational prediction of X@B80 (X = Sc2C2, Sc3C2, Sc3CN and Sc3C2CN).

scientific article published on 18 July 2016
Diels-Alder reactions of graphene oxides: greatly enhanced chemical reactivity by oxygen-containing groups.

scientific article
Thiol-maleimide poly(ethylene glycol) crosslinking of L-asparaginase subunits at recombinant cysteine residues introduced by mutagenesis

scientific article published on 27 July 2018
True Nanocable Assemblies with Insulating BN Nanotube Sheaths and Conducting Cu Nanowire Cores

scientific article published on 01 February 2006
Mechanical degradation of graphene by epoxidation: insights from first-principles calculations

scientific article published in July 2015
How Do Surface and Edge Effects Alter the Electronic Properties of GaN Nanoribbons?

Syntheses, Structures, and Bonding of Cp2M(ER)2Compounds (Cp = C5H5; M = Ti, Zr; E = Ga, In; R = C6H3-2,6-(2,4,6-i-Pr3C6H2)2)

Two-Dimensional C4N Global Minima: Unique Structural Topologies and Nanoelectronic Properties

First-principles study of molecular hydrogen dissociation on doped Al12X (X = B, Al, C, Si, P, Mg, and Ca) clusters

scientific article
To Be or Not to Be Protonated: Cyclo-N¯ in Crystal and Solvent

scientific article published on 13 December 2018
Hydrogen storage behavior of one-dimensional TiBx chains

scientific article
The structure and stability of Si60 and Ge60 cages: a computational study

scientific article published in June 2003
Dynamic motion of an Lu pair inside a C76(Td) cage

scholarly article in RSC Advances, vol. 5 no. 43, 2015
Single−sided fluorine–functionalized graphene: A metal–free electrocatalyst with high efficiency for oxygen reduction reaction

scholarly article in Carbon, vol. 104, August 2016
Exploring adsorption of neutral aromatic pollutants onto graphene nanomaterials via molecular dynamics simulations and theoretical linear solvation energy relationships

Predicting Novel 2D MB2 (M = Ti, Hf, V, Nb, Ta) Monolayers with Ultrafast Dirac Transport Channel and Electron-Orbital Controlled Negative Poisson's Ratio

scientific article published on 06 May 2019
Cu dimer anchored on C2N monolayer: low-cost and efficient Bi-atom catalyst for CO oxidation

scientific article published on 01 August 2018
Tetra-silicene: A Semiconducting Allotrope of Silicene with Negative Poisson’s Ratios

article published in 2017
A two-dimensional TiB4 monolayer exhibits planar octacoordinate Ti.

scientific article published on 13 November 2017
Synthetic and structural study on some new porphyrin or metalloporphyrin macrocycle-containing model complexes for the active site of [FeFe]-hydrogenases

Enhanced lithium adsorption/diffusion and improved Li capacity on SnS2 nanoribbons: A computational investigation

Spindle nodal chain in three-dimensional α′ boron

scientific article published on 01 September 2018
Photophysical and photochemical insights into the photodegradation of sulfapyridine in water: A joint experimental and theoretical study

scientific article published on 7 October 2017
Porous silaphosphorene, silaarsenene and silaantimonene: a sweet marriage of Si and P/As/Sb

A Co–N4 moiety embedded into graphene as an efficient single-atom-catalyst for NO electrochemical reduction: a computational study

Metallic FeSe monolayer as an anode material for Li and non-Li ion batteries: a DFT study

scientific article published on 14 April 2020

Paulina is supported by:

About Paulina

Help