Revealing the Structure–Property Relationships of Metal–Organic Frameworks for CO2 Capture from Flue Gas

Langmuir ◽  
2012 ◽  
Vol 28 (33) ◽  
pp. 12094-12099 ◽  
Author(s):  
Dong Wu ◽  
Qingyuan Yang ◽  
Chongli Zhong ◽  
Dahuan Liu ◽  
Hongliang Huang ◽  
...  
Keyword(s):  
Co2 Capture ◽  
Flue Gas ◽  
Metal Organic Frameworks ◽  
Structure Property ◽  
Structure Property Relationships ◽  
Metal Organic

scholarly journals Data-driven design of metal–organic frameworks for wet flue gas CO2 capture

Nature ◽  
2019 ◽  
Vol 576 (7786) ◽  
pp. 253-256 ◽  
Author(s):  
Peter G. Boyd ◽  
Arunraj Chidambaram ◽  
Enrique García-Díez ◽  
Christopher P. Ireland ◽  
Thomas D. Daff ◽  
...  
Keyword(s):  
Co2 Capture ◽  
Flue Gas ◽  
Metal Organic Frameworks ◽  
Data Driven ◽  
Metal Organic

scholarly journals Tailoring of the electronic property of Zn-BTC metal–organic framework via ligand functionalization: an ab initio investigation

RSC Advances ◽  
2019 ◽  
Vol 9 (25) ◽  
pp. 14260-14267 ◽  
Author(s):  
Gemechis D. Degaga ◽  
Ravindra Pandey ◽  
Chansi Gupta ◽  
Lalit Bharadwaj
Keyword(s):  
Ab Initio ◽  
Electronic Property ◽  
Metal Organic Framework ◽  
Metal Organic Frameworks ◽  
Structure Property ◽  
Structure Property Relationships ◽  
Metal Organic ◽  
Organic Framework

The structure–property relationships of pristine and functionalized Zn-BTC (Zn3(BTC)2) metal–organic frameworks are investigated.

scholarly journals Rational design of metal–organic frameworks with anticipated porosities and functionalities

CrystEngComm ◽  
2014 ◽  
Vol 16 (20) ◽  
pp. 4069-4083 ◽  
Author(s):  
Muwei Zhang ◽  
Mathieu Bosch ◽  
Thomas Gentle III ◽  
Hong-Cai Zhou
Keyword(s):  
Rational Design ◽  
Metal Organic Frameworks ◽  
Structure Property ◽  
Systematic Overview ◽  
Structure Property Relationships ◽  
Recent Advances ◽  
Metal Organic

This highlight review will outline the recent advances on rational design of MOFs from both our and other groups based on their structure–property relationships, and provide a systematic overview of different methods for rational design of MOFs with desired porosities and functionalities.

Revisiting the structural homogeneity of NU-1000, a Zr-based metal–organic framework

CrystEngComm ◽  
2018 ◽  
Vol 20 (39) ◽  
pp. 5913-5918 ◽  
Author(s):  
Timur Islamoglu ◽  
Ken-ichi Otake ◽  
Peng Li ◽  
Cassandra T. Buru ◽  
Aaron W. Peters ◽  
...  
Keyword(s):  
Metal Organic Framework ◽  
Metal Organic Frameworks ◽  
Structure Property ◽  
Structural Homogeneity ◽  
Structure Property Relationships ◽  
Phase Pure ◽  
Metal Organic ◽  
Free Metal ◽  
Organic Framework

Synthesis and activation of phase-pure and defect-free metal–organic frameworks (MOFs) are essential for establishing accurate structure–property relationships.

High-throughput computational screening of metal–organic frameworks

2014 ◽  
Vol 43 (16) ◽  
pp. 5735-5749 ◽  
Author(s):  
Yamil J. Colón ◽  
Randall Q. Snurr
Keyword(s):  
High Throughput ◽  
Metal Organic Frameworks ◽  
Structure Property ◽  
Performance Limits ◽  
Structure Property Relationships ◽  
Computational Screening ◽  
Metal Organic ◽  
And Performance

High-throughput computational screening of MOFs allows identification of promising candidates, new structure–property relationships, and performance limits.

scholarly journals Screening of metal–organic frameworks for water adsorption heat transformation using structure–property relationships

RSC Advances ◽  
2020 ◽  
Vol 10 (57) ◽  
pp. 34621-34631
Author(s):  
Min Xu ◽  
Zhangli Liu ◽  
Xiulan Huai ◽  
Lanting Lou ◽  
Jiangfeng Guo
Keyword(s):  
Water Adsorption ◽  
Metal Organic Frameworks ◽  
Quantitative Structure ◽  
Structure Property ◽  
Adsorption Performance ◽  
Structure Property Relationships ◽  
Structure Property Relationship ◽  
Physicochemical Features ◽  
Metal Organic ◽  
Heat Transformation

Quantitative structure–property relationship models that correlate the water adsorption performance of MOFs to their physicochemical features have been established.

scholarly journals Structure–property relationships in metal-organic frameworks for hydrogen storage

2016 ◽  
Vol 496 ◽  
pp. 77-85 ◽  
Author(s):  
Antonio Noguera-Díaz ◽  
Nuno Bimbo ◽  
Leighton T. Holyfield ◽  
Ibbi Y. Ahmet ◽  
Valeska P. Ting ◽  
...  
Keyword(s):  
Hydrogen Storage ◽  
Metal Organic Frameworks ◽  
Structure Property ◽  
Structure Property Relationships ◽  
Metal Organic
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