Density functional theory study the effects of oxygen-containing functional groups on oxygen molecules and oxygen atoms adsorbed on carbonaceous materials

Effect of calcium on gasification of carbonaceous materials with CO2: A DFT study

(2012) Juan D. González et al.   FUEL

Oxygen migration on the graphene surface. 1. Origin of epoxide groups

(2011) Ljubisa R. Radovic et al.   CARBON

Oxygen migration on the graphene surface. 2. Thermochemistry of basal-plane diffusion (hopping)

(2011) Ljubisa R. Radovic et al.   CARBON

Reaction mechanism of CO oxidation on Cu2O(111): A density functional study

(2010) Bao-Zhen Sun et al.   JOURNAL OF CHEMICAL PHYSICS

First-Principle Study of Hydroxyl Functional Groups on Pristine, Defected Graphene, and Graphene Epoxide

(2010) Nahid Ghaderi et al.   Journal of Physical Chemistry C

Density functional study of the reaction of O2 with a single site on the zigzag edge of graphene

(2010) Karina Sendt et al.   PROCEEDINGS OF THE COMBUSTION INSTITUTE

Atomic oxygen functionalization of double walled C nanotubes

(2009) R. Larciprete et al.   CARBON

Heterogeneous CO2Evolution from Oxidation of Aromatic Carbon-Based Materials

(2009) Juan F. Orrego et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Chemical oxidation of multiwalled carbon nanotubes

(2008) V. Datsyuk et al.   CARBON

The surface analytical characterization of carbon fibers functionalized by H2SO4/HNO3 treatment

(2007) Gaixia Zhang et al.   CARBON