CO2 induced phase transitions in diamine-appended metal–organic frameworks-Reference-Cited by-同舟云学术

CO2 induced phase transitions in diamine-appended metal–organic frameworks

Published:2015 Issue:9 Volume:6 Page:5177-5185
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Vlaisavljevich Bess¹²³⁴,Odoh Samuel O.⁵⁶⁷⁸⁴,Schnell Sondre K.¹²³⁴⁵,Dzubak Allison L.⁵⁶⁷⁸⁴,Lee Kyuho⁹¹⁰³⁴¹¹,Planas Nora⁵⁶⁷⁸⁴,Neaton Jeffrey B.⁹¹⁰³⁴¹¹,Gagliardi Laura⁵⁶⁷⁸⁴,Smit Berend¹²³⁴⁹^ORCID

Affiliation:

1. Department of Chemical and Biomolecular Engineering

2. University of California

3. Berkeley

4. USA

5. Department of Chemistry

6. Chemical Theory Center and Supercomputing Institute

7. University of Minnesota

8. Minneapolis

9. Molecular Foundry

10. Lawrence Berkeley National Laboratory

11. Department of Physics

Abstract

Using a combination of density functional theory and lattice models, we study the effect of CO₂ adsorption in an amine functionalized metal–organic framework.

Funder

Advanced Scientific Computing Research

Basic Energy Sciences

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2015/SC/C5SC01828E

Reference25 articles.

1. B. Smit ; J. R.Reimer ; C. M.Oldenberg and I. C.Bourg , Introduction to Carbon Capture and Sequestration , Imperial College Press , London , 2014

2. The Grand Challenges in Carbon Capture, Utilization, and Storage