Optimizing Open Iron Sites in Metal–Organic Frameworks for Ethane Oxidation: A First-Principles Study

Liao, Peilin; Getman, Rachel B.; Snurr, Randall Q.

doi:10.1021/acsami.7b02195

Title: Optimizing Open Iron Sites in Metal–Organic Frameworks for Ethane Oxidation: A First-Principles Study

Journal Article · 10 April 2017 · ACS Applied Materials and Interfaces

DOI: https://doi.org/10.1021/acsami.7b02195 · OSTI ID:1371789

Liao, Peilin ^[1]; Getman, Rachel B. ^[2];

^[3]

Department of Chemical & Biological Engineering, Northwestern University, Evanston, Illinois 60208, United States, School of Materials Engineering, Purdue University, West Lafayette, Indiana 47907, United States
Department of Chemical and Biomolecular Engineering, Clemson University, Clemson, South Carolina 29634, United States
Department of Chemical & Biological Engineering, Northwestern University, Evanston, Illinois 60208, United States

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Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0012702; AC02-05CH11231

OSTI ID:: 1371789

Journal Information:: ACS Applied Materials and Interfaces, Journal Name: ACS Applied Materials and Interfaces Journal Issue: 39 Vol. 9; ISSN 1944-8244

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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