The Molecular Path Approaching the Active Site in Catalytic Metal–Organic Frameworks

2021 ◽  
Author(s):  
Ana E. Platero-Prats ◽  
Andreas Mavrandonakis ◽  
Jian Liu ◽  
Zhihengyu Chen ◽  
Zhijie Chen ◽  
...  
Keyword(s):  
Active Site ◽  
Metal Organic Frameworks ◽  
Metal Organic ◽  
Catalytic Metal

Protein Immobilization in Metal–Organic Frameworks by Covalent Binding

2014 ◽  
Vol 67 (11) ◽  
pp. 1629 ◽  
Author(s):  
Xuan Wang ◽  
Trevor A. Makal ◽  
Hong-Cai Zhou
Keyword(s):  
Enzymatic Activity ◽  
Enzyme Immobilization ◽  
Working Conditions ◽  
Active Site ◽  
Covalent Binding ◽  
Metal Organic Frameworks ◽  
Protein Immobilization ◽  
Immobilization Of Enzymes ◽  
Metal Organic ◽  
Biological Catalysis

Metal–organic frameworks (MOFs), possessing a well defined system of pores, demonstrate extensive potential serving as a platform in biological catalysis. Successful immobilization of enzymes in a MOF system retains the enzymatic activity, renders the active site more accessible to the substrate, and promises recyclability for reuse, and solvent adaptability in a broad range of working conditions. This highlight describes enzyme immobilization on MOFs via covalent binding and its significance.

First-principles design of bifunctional oxygen reduction and evolution catalysts through bimetallic centers in metal–organic frameworks

2018 ◽  
Vol 8 (14) ◽  
pp. 3666-3674 ◽  
Author(s):  
Peng Zhang ◽  
Xuejing Yang ◽  
Wang Gao ◽  
Xiuli Hou ◽  
Jianli Mi ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Oxygen Reduction ◽  
Active Site ◽  
First Principles ◽  
Metal Organic Frameworks ◽  
Metal Organic

Bi-metallic FexCo3−x(THT)2 nanosheets exhibit bifunctional catalytic activity for both the ORR and OER. The ORR occurs on the Co atom, while the active site for the OER is the Fe atom.

Co–Mo–P carbon nanospheres derived from metal–organic frameworks as a high-performance electrocatalyst towards efficient water splitting

2021 ◽  
Author(s):  
Nan Li ◽  
Yi Guan ◽  
Yongliang Li ◽  
Hongwei Mi ◽  
Libo Deng ◽  
...  
Keyword(s):  
Free Energy ◽  
Electron Transport ◽  
Water Splitting ◽  
Active Site ◽  
Electrocatalytic Activity ◽  
High Performance ◽  
Metal Organic Frameworks ◽  
Carbon Nanospheres ◽  
Metal Organic

A well-designed Co–Mo–P active site allows electron transport between Co and MoP, which will reduce the absorption free energy of the intermediates and improve the electrocatalytic activity of the hybrid.

Tuning the catalytic performance of metal–organic frameworks in fine chemistry by active site engineering

2012 ◽  
Vol 22 (20) ◽  
pp. 10313 ◽  
Author(s):  
Frederik Vermoortele ◽  
Rob Ameloot ◽  
Luc Alaerts ◽  
Roman Matthessen ◽  
Bert Carlier ◽  
...  
Keyword(s):  
Active Site ◽  
Metal Organic Frameworks ◽  
Catalytic Performance ◽  
Fine Chemistry ◽  
Metal Organic

Graphitic carbon nanofiber growth from catalytic-metal organic frameworks & their electrochemical double layer properties

2017 ◽  
Vol 5 (48) ◽  
pp. 25338-25349 ◽  
Author(s):  
Parama Chakraborty Banerjee ◽  
Derrek E. Lobo ◽  
Tim Williams ◽  
Mahdokht Shaibani ◽  
Matthew R. Hill ◽  
...  
Keyword(s):  
Carbon Nanofibers ◽  
Double Layer ◽  
Carbon Nanofiber ◽  
Metal Organic Frameworks ◽  
Graphitic Carbon ◽  
Metal Organic ◽  
Catalytic Metal ◽  
Graphitic Carbon Nanofibers ◽  
Electrochemical Double Layer

Electrochemical utilization of catalyst particles significantly increases the capacitance of catalytic MOF-derived graphitic carbon-nanofibers.

scholarly journals The effects of active site and support on hydrogen elimination over transition-metal-functionalized yttria-decorated metal–organic frameworks

2019 ◽  
Vol 9 (24) ◽  
pp. 7003-7015
Author(s):  
Bo Yang ◽  
Kamal Sharkas ◽  
Laura Gagliardi ◽  
Donald G. Truhlar
Keyword(s):  
Transition Metal ◽  
Active Site ◽  
Metal Organic Framework ◽  
Metal Organic Frameworks ◽  
Metal Catalysts ◽  
Transition Metal Catalysts ◽  
Hydrogen Elimination ◽  
Metal Organic ◽  
Catalytic Cycles ◽  
Organic Framework

Transition-metal catalysts supported on a metal–organic framework have been screened computationally to reveal the best catalytic candidates for hydrogen elimination reactions, which are critical in many catalytic cycles.

Monodentate hydroxide as a super strong yet reversible active site for CO2capture from high-humidity flue gas

2015 ◽  
Vol 8 (3) ◽  
pp. 1011-1016 ◽  
Author(s):  
Pei-Qin Liao ◽  
Huayao Chen ◽  
Dong-Dong Zhou ◽  
Si-Yang Liu ◽  
Chun-Ting He ◽  
...  
Keyword(s):  
Flue Gas ◽  
Active Site ◽  
Metal Organic Frameworks ◽  
High Humidity ◽  
Pore Surface ◽  
Metal Organic

Reversible chemisorption of CO2is realized by introducing monodentate hydroxide onto the pore surface of metal–organic frameworks.

Active site engineering in UiO-66 type metal–organic frameworks by intentional creation of defects: a theoretical rationalization

CrystEngComm ◽  
2015 ◽  
Vol 17 (2) ◽  
pp. 395-406 ◽  
Author(s):  
Matthias Vandichel ◽  
Julianna Hajek ◽  
Frederik Vermoortele ◽  
Michel Waroquier ◽  
Dirk E. De Vos ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Hydrochloric Acid ◽  
Active Site ◽  
Metal Organic Frameworks ◽  
Metal Organic

The catalytic activity of the Zr-benzenedicarboxylate (Zr-BDC) UiO-66 increases by using synthesis modulators as trifluoroacetate (TFA) or hydrochloric acid (HCl), which can be removed post-synthetically.

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