Crucial role of blocking inaccessible cages in the simulation of gas adsorption in a paddle-wheel metal–organic framework

RSC Advances ◽  
2013 ◽  
Vol 3 (36) ◽  
pp. 16152 ◽  
Author(s):  
Kang Zhang ◽  
Anjaiah Nalaparaju ◽  
Yifei Chen ◽  
Jianwen Jiang
Keyword(s):  
Crucial Role ◽  
Gas Adsorption ◽  
Metal Organic Framework ◽  
Paddle Wheel ◽  
Metal Organic ◽  
Organic Framework

scholarly journals The Role of Temperature and Adsorbate on Negative Gas Adsorption in the Mesoporous Metal-Organic Framework DUT-49

2020 ◽  
Author(s):  
Simon Krause ◽  
Jack D. Evans ◽  
Volodymyr Bon ◽  
Irena Senkovska ◽  
François-Xavier Coudert ◽  
...  
Keyword(s):  
Elevated Temperatures ◽  
Gas Adsorption ◽  
Metal Organic Framework ◽  
Temperature Decrease ◽  
Extensive Investigation ◽  
Metal Organic ◽  
Mesoporous Metal ◽  
Different Gases ◽  
Organic Framework

In this contribution, we present an extensive investigation of adsorption of a range of different gases at various temperatures in DUT-49, a metal-organic framework which features a negative gas adsorption (NGA) transition. Adsorption experiments at temperatures ranging from 21 to 308 K, were used to identify, for each guest, a critical temperature range in which NGA occurs. The experimental results were complemented by molecular simulations that rationalize the absence of NGA at elevated temperatures and the non-monotonic behavior observed upon temperature decrease.

scholarly journals The role of temperature and adsorbate on negative gas adsorption transitions of the mesoporous metal–organic framework DUT-49

2021 ◽  
Author(s):  
Simon Krause ◽  
Jack D. Evans ◽  
Volodymyr Bon ◽  
Irena Senkovska ◽  
François-Xavier Coudert ◽  
...  
Keyword(s):  
Gas Adsorption ◽  
Metal Organic Framework ◽  
P Adsorption ◽  
Metal Organic ◽  
Mesoporous Metal ◽  
Different Gases ◽  
Organic Framework

Adsorption-induced contraction and negative gas adsorption in the mesoporous metal–organic framework DUT-49 for different gases and temperatures.

Cobalt substitution in a flexible metal–organic framework: modulating a soft paddle-wheel unit for tunable gate-opening adsorption

2019 ◽  
Vol 48 (21) ◽  
pp. 7100-7104 ◽  
Author(s):  
Jiaxing Zhu ◽  
Junye Chen ◽  
Tianze Qiu ◽  
Mingli Deng ◽  
Qingshu Zheng ◽  
...  
Keyword(s):  
Gas Adsorption ◽  
Metal Organic Framework ◽  
Paddle Wheel ◽  
Gate Opening ◽  
Cobalt Substitution ◽  
Metal Organic ◽  
Flexible Framework ◽  
Coordination Bonds ◽  
Flexible Metal ◽  
Organic Framework

We achieved a tunable Pgo for gas adsorption in a flexible framework by modulating the dynamic rearrangement of coordination bonds of paddle-wheel unit via cobalt substitution.

scholarly journals The Role of Temperature and Adsorbate on Negative Gas Adsorption in the Mesoporous Metal-Organic Framework DUT-49

2020 ◽  
Author(s):  
Simon Krause ◽  
Jack D. Evans ◽  
Volodymyr Bon ◽  
Irena Senkovska ◽  
François-Xavier Coudert ◽  
...  
Keyword(s):  
Elevated Temperatures ◽  
Gas Adsorption ◽  
Metal Organic Framework ◽  
Temperature Decrease ◽  
Extensive Investigation ◽  
Metal Organic ◽  
Mesoporous Metal ◽  
Different Gases ◽  
Organic Framework

In this contribution, we present an extensive investigation of adsorption of a range of different gases at various temperatures in DUT-49, a metal-organic framework which features a negative gas adsorption (NGA) transition. Adsorption experiments at temperatures ranging from 21 to 308 K, were used to identify, for each guest, a critical temperature range in which NGA occurs. The experimental results were complemented by molecular simulations that rationalize the absence of NGA at elevated temperatures and the non-monotonic behavior observed upon temperature decrease.

scholarly journals Hydrogenation of CO2 to Methanol by Pt Nanoparticles Encapsulated in UiO-67: Deciphering the Role of the Metal–Organic Framework

2019 ◽  
Vol 142 (2) ◽  
pp. 999-1009 ◽  
Author(s):  
Emil S. Gutterød ◽  
Andrea Lazzarini ◽  
Torstein Fjermestad ◽  
Gurpreet Kaur ◽  
Maela Manzoli ◽  
...  
Keyword(s):  
Metal Organic Framework ◽  
Pt Nanoparticles ◽  
Hydrogenation Of Co2 ◽  
Metal Organic ◽  
Organic Framework

Triple Framework Interpenetration and Immobilization of Open Metal Sites within a Microporous Mixed Metal–Organic Framework for Highly Selective Gas Adsorption

2012 ◽  
Vol 51 (9) ◽  
pp. 4947-4953 ◽  
Author(s):  
Zhangjing Zhang ◽  
Shengchang Xiang ◽  
Kunlun Hong ◽  
Madhab, C. Das ◽  
Hadi D. Arman ◽  
...  
Keyword(s):  
Gas Adsorption ◽  
Metal Organic Framework ◽  
Mixed Metal ◽  
Open Metal Sites ◽  
Metal Organic ◽  
Organic Framework

Selective gas adsorption and unique phase transition properties in a stable magnesium metal-organic framework constructed from infinite metal chains

CrystEngComm ◽  
2013 ◽  
Vol 15 (45) ◽  
pp. 9688 ◽  
Author(s):  
Yangyang Liu ◽  
Ying-Pin Chen ◽  
Tian-Fu Liu ◽  
Andrey A. Yakovenko ◽  
Aaron M. Raiff ◽  
...  
Keyword(s):  
Phase Transition ◽  
Gas Adsorption ◽  
Metal Organic Framework ◽  
Magnesium Metal ◽  
Metal Organic ◽  
Organic Framework

Enhanced performance in gas adsorption and Li ion batteries by docking Li+ in a crown ether-based metal–organic framework

2016 ◽  
Vol 52 (14) ◽  
pp. 3003-3006 ◽  
Author(s):  
Linyi Bai ◽  
Binbin Tu ◽  
Yi Qi ◽  
Qiang Gao ◽  
Dong Liu ◽  
...  
Keyword(s):  
Crown Ether ◽  
Metal Ions ◽  
Gas Adsorption ◽  
Metal Organic Framework ◽  
Metal Organic Frameworks ◽  
Li Ion Batteries ◽  
Metal Organic ◽  
Li Ion ◽  
Organic Framework

Incorporating supramolecular recognition units, crown ether rings, into metal–organic frameworks enables the docking of metal ions through complexation for enhanced performance.

Sign in / Sign up

Export Citation Format

Share Document