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

Journal Article · Thu Mar 14 04:00:00 EDT 2013 · Journal of the Electrochemical Society, 160(6):F548-F553

DOI:https://doi.org/10.1149/2.047306jes· OSTI ID:1089613

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

We used 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 toward the oxygen reduction reaction of platinum nanowires was assessed by studying the change in the chemisorption energies of oxygen, hydroxyl, and hydroperoxyl groups, induced by converting the nanotube models to nanowires. Both ultrathin platinum nanotubes and nanowires show distinct properties compared to bulk platinum. Single-wall nanotubes and platinum nanowires 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: 1089613
• Journal Information: Journal of the Electrochemical Society, 160(6):F548-F553, Journal Name: Journal of the Electrochemical Society, 160(6):F548-F553
• Country of Publication: United States
• Language: English

Related Subjects

Environmental Molecular Sciences Laboratory