@article{ART002015351},
author={SOONCHUL KWON and Lee Seung Geol},
title={Influence of defective sites in Pt/C catalysts on the anode of direct methanol fuel cell and their role in CO poisoning: a first-principles study},
journal={Carbon Letters},
issn={1976-4251},
year={2015},
volume={16},
number={3},
pages={198-202}
TY - JOUR
AU - SOONCHUL KWON
AU - Lee Seung Geol
TI - Influence of defective sites in Pt/C catalysts on the anode of direct methanol fuel cell and their role in CO poisoning: a first-principles study
JO - Carbon Letters
PY - 2015
VL - 16
IS - 3
PB - Korean Carbon Society
SP - 198
EP - 202
SN - 1976-4251
AB - Carbon-supported Pt catalyst systems containing defect adsorption sites on the anode of direct methanol fuel cells were investigated, to elucidate the mechanisms of H2 dissociation and carbon monoxide (CO) poisoning. Density functional theory calculations were carried out to determine the effect of defect sites located neighboring to or distant from the Pt catalyst on H2 and CO adsorption properties, based on electronic properties such as adsorption energy and electronic band gap. Interestingly, the presence of neighboring defect sites led to a reduction of H2 dissociation and CO poisoning due to atomic Pt filling the defect sites. At distant sites, H2 dissociation was active on Pt, but CO filled the defect sites to form carbon π-π bonds, thus enhancing the oxidation of the carbon surface. It should be noted that defect sites can cause CO poisoning, thereby deactivating the anode gradually.
KW - defect;platinum;carbon;carbon monoxide poisoning;direct methanol fuel cell;density functional theory
DO -
UR -
ER -
SOONCHUL KWON and Lee Seung Geol. (2015). Influence of defective sites in Pt/C catalysts on the anode of direct methanol fuel cell and their role in CO poisoning: a first-principles study. Carbon Letters, 16(3), 198-202.
SOONCHUL KWON and Lee Seung Geol. 2015, "Influence of defective sites in Pt/C catalysts on the anode of direct methanol fuel cell and their role in CO poisoning: a first-principles study", Carbon Letters, vol.16, no.3 pp.198-202.
SOONCHUL KWON, Lee Seung Geol "Influence of defective sites in Pt/C catalysts on the anode of direct methanol fuel cell and their role in CO poisoning: a first-principles study" Carbon Letters 16.3 pp.198-202 (2015) : 198.
SOONCHUL KWON, Lee Seung Geol. Influence of defective sites in Pt/C catalysts on the anode of direct methanol fuel cell and their role in CO poisoning: a first-principles study. 2015; 16(3), 198-202.
SOONCHUL KWON and Lee Seung Geol. "Influence of defective sites in Pt/C catalysts on the anode of direct methanol fuel cell and their role in CO poisoning: a first-principles study" Carbon Letters 16, no.3 (2015) : 198-202.
SOONCHUL KWON; Lee Seung Geol. Influence of defective sites in Pt/C catalysts on the anode of direct methanol fuel cell and their role in CO poisoning: a first-principles study. Carbon Letters, 16(3), 198-202.
SOONCHUL KWON; Lee Seung Geol. Influence of defective sites in Pt/C catalysts on the anode of direct methanol fuel cell and their role in CO poisoning: a first-principles study. Carbon Letters. 2015; 16(3) 198-202.
SOONCHUL KWON, Lee Seung Geol. Influence of defective sites in Pt/C catalysts on the anode of direct methanol fuel cell and their role in CO poisoning: a first-principles study. 2015; 16(3), 198-202.
SOONCHUL KWON and Lee Seung Geol. "Influence of defective sites in Pt/C catalysts on the anode of direct methanol fuel cell and their role in CO poisoning: a first-principles study" Carbon Letters 16, no.3 (2015) : 198-202.
