Iodine chemisorbed on Pt(111): A DFT Study

Qun Liu; Ze-sheng Li

doi:10.1364/AOEE.2013.ASa3A.03

International Photonics and Optoelectronics Meetings (POEM)
OSA Technical Digest (online) (Optica Publishing Group, 2013),
paper ASa3A.03
•https://doi.org/10.1364/AOEE.2013.ASa3A.03

Iodine chemisorbed on Pt(111): A DFT Study

Qun Liu and Ze-sheng Li

Advanced Optoelectronics for Energy and Environment 2013

Wuhan China
25–26 May 2013
ISBN: 978-1-55752-976-3

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AOEE Poster Session (ASa3A)

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Q. Liu and Z. Li, "Iodine chemisorbed on Pt(111): A DFT Study," in International Photonics and Optoelectronics Meetings (POEM), OSA Technical Digest (online) (Optica Publishing Group, 2013), paper ASa3A.03.

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Abstract

The adsorption for I₂ on the Pt(111) surface was investigated. The nudged elastic band method was applied to locate transition states. All results show that the dissociative adsorption on surface is more favored.

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