Theoretical Study of the Structure, Stability and Oxygen Reduction Activity of Ultrathin Platinum Nanowires

Journal Article · Wed Oct 10 04:00:00 EDT 2012 · ECS Transactions, 50(2):1385-1395

DOI:https://doi.org/10.1149/05002.1385ecst· OSTI ID:1097957

Matanovic, Ivana; Kent, Paul; Garzon, Fernando; Henson, Neil J.

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, nonhollow 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.

• Research Organization: Pacific Northwest National Laboratory (PNNL), Richland, WA (US), Environmental Molecular Sciences Laboratory (EMSL)
• Sponsoring Organization: USDOE
• DOE Contract Number: AC05-76RL01830
• OSTI ID: 1097957
• Journal Information: ECS Transactions, 50(2):1385-1395, Journal Name: ECS Transactions, 50(2):1385-1395
• Country of Publication: United States
• Language: English

Related Subjects

Environmental Molecular Sciences Laboratory