scholarly journals Energy-based descriptors to rapidly predict hydrogen storage in metal–organic frameworks

2019 ◽  
Vol 4 (1) ◽  
pp. 162-174 ◽  
Author(s):  
Benjamin J. Bucior ◽  
N. Scott Bobbitt ◽  
Timur Islamoglu ◽  
Subhadip Goswami ◽  
Arun Gopalan ◽  
...  

A new, energy-based descriptor for porous materials is highly predictive for hydrogen adsorption using an interpretable regression model.

2019 ◽  
Author(s):  
Liviu Zarbo ◽  
Marius Oancea ◽  
Emmanuel Klontzas ◽  
Emmanuel Tylianakis ◽  
Ioana G. Grosu ◽  
...  

<p>Using a multiscale approach, we show that applied electric field does not affect significantly the hydrogen uptake of weakly polarizable metal-organic frameworks (MOFs). Nonetheless, we show that, for large MOF polarizabilities, the hydrogen uptake can double in applied electric field. We propose searching for a novel class of hydrogen storage materials, that of highly polarizable porous MOFs. Hydrogen uptake in such materials would be controlled by electric field, a much easier to adjust parameter than pressure or temperature.</p>


Nanomaterials ◽  
2021 ◽  
Vol 11 (7) ◽  
pp. 1638
Author(s):  
Vladimír Zeleňák ◽  
Ivan Saldan

Metal–organic frameworks (MOFs) have significant potential for hydrogen storage. The main benefit of MOFs is their reversible and high-rate hydrogen adsorption process, whereas their biggest disadvantage is related to their operation at very low temperatures. In this study, we describe selected examples of MOF structures studied for hydrogen adsorption and different factors affecting hydrogen adsorption in MOFs. Approaches to improving hydrogen uptake are reviewed, including surface area and pore volume, in addition to the value of isosteric enthalpy of hydrogen adsorption. Nanoconfinement of metal hydrides inside MOFs is proposed as a new approach to hydrogen storage. Conclusions regarding MOFs with incorporated metal nanoparticles, which may be used as nanoscaffolds and/or H2 sorbents, are summarized as prospects for the near future.


Author(s):  
Liviu Zarbo ◽  
Marius Oancea ◽  
Emmanuel Klontzas ◽  
Emmanuel Tylianakis ◽  
Ioana G. Grosu ◽  
...  

<p>Using a multiscale approach, we show that applied electric field does not affect significantly the hydrogen uptake of weakly polarizable metal-organic frameworks (MOFs). Nonetheless, we show that, for large MOF polarizabilities, the hydrogen uptake can double in applied electric field. We propose searching for a novel class of hydrogen storage materials, that of highly polarizable porous MOFs. Hydrogen uptake in such materials would be controlled by electric field, a much easier to adjust parameter than pressure or temperature.</p>


2016 ◽  
Vol 9 (10) ◽  
pp. 3279-3289 ◽  
Author(s):  
Diego A. Gómez-Gualdrón ◽  
Yamil J. Colón ◽  
Xu Zhang ◽  
Timothy C. Wang ◽  
Yu-Sheng Chen ◽  
...  

Metal–organic frameworks (MOFs) are porous materials synthesized by combining inorganic and organic molecular building blocks into crystalline networks of distinct topologies.


2021 ◽  
Author(s):  
Monir Falsafi ◽  
Amir Shokooh Saljooghi ◽  
Khalil Abnous ◽  
Seyed Mohammad Taghdisi ◽  
Mohammad Ramezani ◽  
...  

Metal–organic frameworks (MOFs), as a prominent category of hybrid porous materials constructed from metal clusters or ions plus organic linkers, have been broadly employed as controlled systems of drug delivery...


2020 ◽  
Author(s):  
Siddhartha De ◽  
Thomas Devic ◽  
Alexandra Fateeva

Given the ubiquitous role of porphyrins in natural systems, these molecules and related derivatives such as phthalocyanines are fascinating building units to achieve functional porous materials. Porphyrin-based MOFs have been...


2014 ◽  
Vol 35 (1) ◽  
pp. 18-38 ◽  
Author(s):  
Debasis Banerjee ◽  
Jun Liu ◽  
Praveen K. Thallapally

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