TY - GEN
T1 - Theoretical study of the structure, stability and oxygen reduction activity of ultrathin platinum nanowires
AU - Matanović, I.
AU - Kent, P. R.C.
AU - Garzon, F. H.
AU - Henson, N. J.
PY - 2013
Y1 - 2013
N2 - We use density functional theory to study the difference in the structure, stability and catalytic reactivity between ultrathin, 0.5-1.0 nm diameter, platinum nanotubes and nanowires. Model nanowires were formed by inserting an inner chain of platinum atoms in small diameter nanotubes. In this way more stable, non-hollow structures were formed. The difference in the electronic structure of platinum nanotubes and nanowires was examined by inspecting the density of surface states and band structure. Furthermore, reactivity towards the oxygen reduction reaction of platinum nanowires was addressed by studying the change in the chemisorption energies of oxygen and hydroxyl groups, induced by inserting the inner chain of platinum atoms into the hollow nanotubes. Both ultrathin platinum nanotubes and nanowires show distinct properties compared to bulk platinum. Nanotubes with diameters larger than 1 nm show promise for use as oxygen reduction catalysts.
AB - We use density functional theory to study the difference in the structure, stability and catalytic reactivity between ultrathin, 0.5-1.0 nm diameter, platinum nanotubes and nanowires. Model nanowires were formed by inserting an inner chain of platinum atoms in small diameter nanotubes. In this way more stable, non-hollow structures were formed. The difference in the electronic structure of platinum nanotubes and nanowires was examined by inspecting the density of surface states and band structure. Furthermore, reactivity towards the oxygen reduction reaction of platinum nanowires was addressed by studying the change in the chemisorption energies of oxygen and hydroxyl groups, induced by inserting the inner chain of platinum atoms into the hollow nanotubes. Both ultrathin platinum nanotubes and nanowires show distinct properties compared to bulk platinum. Nanotubes with diameters larger than 1 nm show promise for use as oxygen reduction catalysts.
UR - http://www.scopus.com/inward/record.url?scp=84885769306&partnerID=8YFLogxK
U2 - 10.1149/05002.1385ecst
DO - 10.1149/05002.1385ecst
M3 - Conference contribution
AN - SCOPUS:84885769306
SN - 9781607683506
T3 - ECS Transactions
SP - 1385
EP - 1395
BT - Polymer Electrolyte Fuel Cells 12, PEFC 2012
PB - Electrochemical Society Inc.
T2 - 12th Polymer Electrolyte Fuel Cell Symposium, PEFC 2012 - 222nd ECS Meeting
Y2 - 7 October 2012 through 12 October 2012
ER -