Functionalized metal–organic framework MIL-101 for CO2 capture: multi-scale modeling from ab initio calculation and molecular simulation to breakthrough prediction

CrystEngComm ◽  
2013 ◽  
Vol 15 (47) ◽  
pp. 10358 ◽  
Author(s):  
Kang Zhang ◽  
Yifei Chen ◽  
Anjaiah Nalaparaju ◽  
Jianwen Jiang
Keyword(s):  
Ab Initio ◽  
Molecular Simulation ◽  
Co2 Capture ◽  
Ab Initio Calculation ◽  
Metal Organic Framework ◽  
Multi Scale ◽  
Scale Modeling ◽  
Metal Organic ◽  
Multi Scale Modeling ◽  
Organic Framework

A Bio-Metal-Organic Framework for Highly Selective CO2 Capture: A Molecular Simulation Study

ChemSusChem ◽  
2010 ◽  
Vol 3 (8) ◽  
pp. 982-988 ◽  
Author(s):  
Yifei Chen ◽  
Jianwen Jiang
Keyword(s):  
Molecular Simulation ◽  
Co2 Capture ◽  
Simulation Study ◽  
Metal Organic Framework ◽  
Metal Organic ◽  
Organic Framework

A 2-Fold Interpenetrated Nitrogen-Rich Metal–Organic Framework: Dye Adsorption and CO2 Capture and Conversion

2021 ◽  
Author(s):  
Xiao-Li Yang ◽  
Yang-Tian Yan ◽  
Wen-Juan Wang ◽  
Ze-Ze Hao ◽  
Wen-Yan Zhang ◽  
...  
Keyword(s):  
Co2 Capture ◽  
Metal Organic Framework ◽  
Dye Adsorption ◽  
Metal Organic ◽  
Organic Framework

Exceptional CO2 Capture Capability and Molecular-Level Segregation in a Li-Modified Metal−Organic Framework

2010 ◽  
Vol 114 (39) ◽  
pp. 16611-16617 ◽  
Author(s):  
Dong Wu ◽  
Qing Xu ◽  
Dahuan Liu ◽  
Chongli Zhong
Keyword(s):  
Co2 Capture ◽  
Molecular Level ◽  
Metal Organic Framework ◽  
Metal Organic ◽  
Organic Framework

TiO2 Coating Strategy for Robust Catalysis of the Metal–Organic Framework toward Energy-Efficient CO2 Capture

2021 ◽  
Author(s):  
Lei Xing ◽  
Kexin Wei ◽  
Yuchen Li ◽  
Zhimo Fang ◽  
Qiangwei Li ◽  
...  
Keyword(s):  
Co2 Capture ◽  
Energy Efficient ◽  
Metal Organic Framework ◽  
Tio2 Coating ◽  
Metal Organic ◽  
Organic Framework

Highly selective CO2 capture of an agw-type metal–organic framework with inserted amides: experimental and theoretical studies

2012 ◽  
Vol 48 (25) ◽  
pp. 3058 ◽  
Author(s):  
Jingui Duan ◽  
Zhen Yang ◽  
Junfeng Bai ◽  
Baishu Zheng ◽  
Yizhi Li ◽  
...  
Keyword(s):  
Co2 Capture ◽  
Metal Organic Framework ◽  
Theoretical Studies ◽  
Metal Organic ◽  
Experimental And Theoretical Studies ◽  
Organic Framework

Improvement of the CO2 Capture Capability of a Metal–Organic Framework by Encapsulating Dye Molecules inside the Mesopore Space

2017 ◽  
Vol 17 (5) ◽  
pp. 2688-2693 ◽  
Author(s):  
Min Zhao ◽  
Sha Ou ◽  
Chuan-De Wu
Keyword(s):  
Co2 Capture ◽  
Metal Organic Framework ◽  
Dye Molecules ◽  
Metal Organic ◽  
Organic Framework

scholarly journals Ab-initio Study of the Electron Mobility in a Functionalized UiO-66 Metal Organic Framework

2018 ◽  
Vol 47 (7) ◽  
pp. 3692-3700 ◽  
Author(s):  
Terence D. Musho ◽  
Alhassan S. Yasin
Keyword(s):  
Ab Initio ◽  
Electron Mobility ◽  
Metal Organic Framework ◽  
Ab Initio Study ◽  
Metal Organic ◽  
Organic Framework

Bioinspired Metal–Organic Framework for Trace CO2 Capture

2018 ◽  
Vol 140 (40) ◽  
pp. 12662-12666 ◽  
Author(s):  
Caitlin E. Bien ◽  
Kai K. Chen ◽  
Szu-Chia Chien ◽  
Benjamin R. Reiner ◽  
Li-Chiang Lin ◽  
...  
Keyword(s):  
Co2 Capture ◽  
Metal Organic Framework ◽  
Metal Organic ◽  
Organic Framework
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