Insights from the Adsorption of Halide Ions on Graphene Materials

Halogenation of imidazolium-based ionic liquids: Thermodynamic perspective

(2016) Vitaly Chaban   JOURNAL OF CHEMICAL THERMODYNAMICS

Halogenation Thermodynamics of Pyrrolidinium-Based Ionic Liquids

(2015) Vitaly Chaban   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Are Fluorination and Chlorination of Morpholinium-Based Ionic Liquids Favorable?

(2015) Vitaly V. Chaban et al.   JOURNAL OF PHYSICAL CHEMISTRY B

The Band Gap of Graphene Is Efficiently Tuned by Monovalent Ions

(2015) Guilherme Colherinhas et al.   Journal of Physical Chemistry Letters

Synergistic Amination of Graphene: Molecular Dynamics and Thermodynamics

(2015) Vitaly V. Chaban et al.   Journal of Physical Chemistry Letters

Nitrogen–Nitrogen Bonds Undermine Stability of N-Doped Graphene

(2015) Vitaly V. Chaban et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Structure and energetics of graphene oxide isomers: ab initio thermodynamic analysis

(2015) Vitaly V. Chaban et al.   Nanoscale

Polypeptide A9K at nanoscale carbon: a simulation study

(2015) Vitaly V. Chaban et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Can inorganic salts tune electronic properties of graphene quantum dots?

(2015) Guilherme Colherinhas et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Graphene exfoliation in ionic liquids: unified methodology

(2015) Vitaly V. Chaban et al.   RSC Advances

Noncovalent Interaction of Carbon Nanostructures

(2014) Deivasigamani Umadevi et al.   ACCOUNTS OF CHEMICAL RESEARCH

First-principles study of the stability of graphene and adsorption of halogen atoms (F, Cl and Br) on hydrogen passivated graphene

(2014) D. B. Karki et al.   INTERNATIONAL JOURNAL OF MODERN PHYSICS B

Edge-Termination and Core-Modification Effects of Hexagonal Nanosheet Graphene

(2014) Jin-Pei Deng et al.   MOLECULES

Role of chemical termination in edge contact to graphene

(2014) Qun Gao et al.   APL Materials

Impact of the Chirality and Curvature of Carbon Nanostructures on Their Interaction with Aromatics and Amino Acids

(2013) Deivasigamani Umadevi et al.   CHEMPHYSCHEM

Some Unexpected Behavior of the Adsorption of Alkali Metal Ions onto the Graphene Surface under the Effect of External Electric Field

(2013) Beáta Peles-Lemli et al.   Journal of Physical Chemistry C

A first-principles study of functionalized clusters and carbon nanotubes or fullerenes with 5-Aminolevulinic acid as vehicles for drug delivery

(2013) Majid Kia et al.   SUPERLATTICES AND MICROSTRUCTURES

Adsorption and Diffusion of Li on Pristine and Defective Graphene

(2012) Xiaofeng Fan et al.   ACS Applied Materials & Interfaces

Metal ion binding with carbon nanotubes and graphene: Effect of chirality and curvature

(2012) Deivasigamani Umadevi et al.   CHEMICAL PHYSICS LETTERS

Unexpectedly strong anion-π interactions on the graphene flakes

(2012) Guosheng Shi et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Band Gap Tuning of Graphene by Adsorption of Aromatic Molecules

(2012) Chung-Huai Chang et al.   Journal of Physical Chemistry C

Diffusion of Li+ ion on graphene: A DFT study

(2011) Jiming Zheng et al.   APPLIED SURFACE SCIENCE

Biological and chemical sensors based on graphene materials

(2011) Yuxin Liu et al.   CHEMICAL SOCIETY REVIEWS

Multiwfn: A multifunctional wavefunction analyzer

(2011) Tian Lu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Adsorption of Lead(II) Ions from Aqueous Solution on Low-Temperature Exfoliated Graphene Nanosheets

(2011) Zheng-Hong Huang et al.   LANGMUIR

Is graphene aromatic?

(2011) Ivan A. Popov et al.   Nano Research

Graphene-based materials for catalysis

(2011) Bruno F. Machado et al.   Catalysis Science & Technology

Production, properties and potential of graphene

(2010) Caterina Soldano et al.   CARBON

Graphene-based nanomaterials for energy storage

(2010) Martin Pumera   Energy & Environmental Science

Density functional theory (DFT) study on the effects of Li+ doping on electronic states of graphene

(2010) Hiroto Tachikawa et al.   JOURNAL OF POWER SOURCES

First-principles study on the enhancement of lithium storage capacity in boron doped graphene

(2009) Xianlong Wang et al.   APPLIED PHYSICS LETTERS

Counterintuitive Substituent Effect of the Ethynyl Group in Ion−π Interactions

(2009) Xavier Lucas et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Revised Basis Sets for the LANL Effective Core Potentials

(2008) Lindsay E. Roy et al.   Journal of Chemical Theory and Computation

Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections

(2008) Jeng-Da Chai et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Edge-functionalized and substitutionally doped graphene nanoribbons: Electronic and spin properties

(2008) F. Cervantes-Sodi et al.   PHYSICAL REVIEW B

First-principles study of metal adatom adsorption on graphene

(2008) Kevin T. Chan et al.   PHYSICAL REVIEW B