@misc{1017fd6edb1048c69d3410fc2e55ff84,
title = "Assessing the Role of Interfacial and Metal Sites in Pt/TiO2-Catalyzed Acetic Acid Hydrodeoxygenation",
abstract = "The work summarized in this presentation builds off of these studies, utilizing atomic-scale modeling to discern the role of Pt-metal and Pt-TiO2-interfacial sites in promoting key C-C bond-breaking, C-O bond-breaking, and (de)hydrogenation steps in acetic acid HDO. By considering Pt(111) and Pt-TiO2-interface surface models, adsorption and reaction energetics calculated by density funcational theory provide fundamental insights into the role of both interfacial sites and oxygen vacancies in promoting desired deoxygenation pathways over undesired decarboxylation/decarbonylation pathways.",
keywords = "acetic acid HDO, CFP, DFT, Pt/TiO2",
author = "Sean Tacey and Matthew Yung and Michael Griffin and Carrie Farberow",
year = "2021",
language = "American English",
series = "Presented at the ACS Spring 2021 Meeting, 5-30 April 2021",
type = "Other",
}