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

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

doi:10.1021/acsami.7b02195

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

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

Inorganometallic Catalyst Design Center

Research output: Contribution to journal › Article › peer-review

48 Scopus citations

Original language	English (US)
Pages (from-to)	33484-33492
Number of pages	9
Journal	ACS applied materials & interfaces
Volume	9
Issue number	39
DOIs	https://doi.org/10.1021/acsami.7b02195
State	Published - 2017

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10.1021/acsami.7b02195

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Energy Frontier Research Center For Inorganometallic Catalyst Design (DE-SC0012702)
Gagliardi, L. (PI), Cramer, C. (CoI), Lu, C. C. (CoI), Penn, L. (CoI), Stein, A. (CoI) & Truhlar, D. G. (CoI)
U.S. DEPARTMENT OF ENERGY (USDOE)
8/1/14 → 7/31/18
Project: Research project

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@article{8a1ff9f285ee42ba9003967289b5b2dc,

title = "Optimizing Open Iron Sites in Metal{\textendash}Organic Frameworks for Ethane Oxidation: A First-Principles Study",

author = "Peilin Liao and Getman, \{Rachel B.\} and Snurr, \{Randall Q.\}",

year = "2017",

doi = "10.1021/acsami.7b02195",

language = "English (US)",

volume = "9",

pages = "33484--33492",

journal = "ACS applied materials \& interfaces",

issn = "1944-8244",

publisher = "American Chemical Society",

number = "39",

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TY - JOUR

T1 - Optimizing Open Iron Sites in Metal–Organic Frameworks for Ethane Oxidation: A First-Principles Study

AU - Liao, Peilin

AU - Getman, Rachel B.

AU - Snurr, Randall Q.

PY - 2017

Y1 - 2017

U2 - 10.1021/acsami.7b02195

DO - 10.1021/acsami.7b02195

M3 - Article

SN - 1944-8244

VL - 9

SP - 33484

EP - 33492

JO - ACS applied materials & interfaces

JF - ACS applied materials & interfaces

IS - 39

ER -

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

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Projects

Energy Frontier Research Center For Inorganometallic Catalyst Design (DE-SC0012702)

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