Computational Prediction of Metal Organic Frameworks Suitable for Molecular Infiltration as a Route to Development of Conductive Materials

2015 ◽  
Vol 6 (9) ◽  
pp. 1586-1591 ◽  
Author(s):  
Xiaowa Nie ◽  
Ambarish Kulkarni ◽  
David S. Sholl
Keyword(s):  
Metal Organic Frameworks ◽  
Computational Prediction ◽  
Conductive Materials ◽  
Metal Organic

scholarly journals Phosphinate MOF formed from tetratopic ligands as proton conductive materials

2021 ◽  
Author(s):  
Matouš Kloda ◽  
Tomáš Plecháček ◽  
Soňa Ondrušová ◽  
Petr Brázda ◽  
Petr Chalupský ◽  
...  
Keyword(s):  
Electron Diffraction ◽  
Proton Transfer ◽  
Rational Design ◽  
Metal Organic Frameworks ◽  
Adsorbed Water ◽  
Proton Conductors ◽  
Water Molecules ◽  
Conductive Materials ◽  
Grotthuss Mechanism ◽  
Metal Organic

Metal organic frameworks (MOFs) are attracting attention as potential proton conductors. There are two main advantages of MOFs in this application: the possibility of rational design and tuning of the properties, and clear conduction pathways given by their crystalline structure. We hereby present two new MOF structures, ICR-10 and ICR-11, based on tetratopic phosphinate ligands. The structures of both MOFs were determined by 3D electron diffraction. They both crystallize in the P-3 space group and contain arrays of parallel linear pores lined with hydrophilic non-coordinated phosphinate groups. This, together with the adsorbed water molecules, facilitates proton transfer via the Grotthuss mechanism, leading to the proton conductivity up to 4.26∙10-4 S cm-1 for ICR-11.

Ba-MOFs with tetrazole-based acetic acids: unusual configuration, novel topology and high proton conductivity

2021 ◽  
Author(s):  
Jie Yang ◽  
Shunlin Zhang ◽  
Zhe Feng ◽  
Ying Cao ◽  
Dunru Zhu
Keyword(s):  
Proton Conductivity ◽  
Proton Exchange Membrane ◽  
Metal Organic Frameworks ◽  
Proton Exchange ◽  
High Proton Conductivity ◽  
Conductive Materials ◽  
High Proton ◽  
Metal Organic ◽  
Exchange Membrane ◽  
Acetic Acids

Metal-organic frameworks (MOFs) as proton conductive materials have attracted increasing attention due to their applications in proton-exchange membrane fuel cells. While the majority of the MOFs are based on transition...

Inter-ligands charge-transfer interactions in a photochromic and redox active zinc-organic framework

CrystEngComm ◽  
2021 ◽  
Author(s):  
Yan Zhou ◽  
Lei Han ◽  
Wen-Jie Chen
Keyword(s):  
Charge Transfer ◽  
Metal Organic Frameworks ◽  
Transfer Mechanism ◽  
Conductive Materials ◽  
Charge Transfer Mechanism ◽  
Redox Active ◽  
Metal Organic ◽  
Organic Framework

Understanding the charge-transfer mechanism in metal-organic frameworks is of great importance to design photoactive, electroactive and conductive materials. A novel Zn (II)-organic framework shows 1D stair-like structure with strong -...

Computational prediction of hetero-interpenetration in metal–organic frameworks

2017 ◽  
Vol 53 (12) ◽  
pp. 1953-1956 ◽  
Author(s):  
Ohmin Kwon ◽  
Sanghoon Park ◽  
Hong-Cai Zhou ◽  
Jihan Kim
Keyword(s):  
Material Properties ◽  
Metal Organic Frameworks ◽  
Computational Prediction ◽  
Novel Materials ◽  
Metal Organic

The computational generation of hetero-interpenetrated metal–organic frameworks can lead to novel materials with synergistic material properties.

Metal-Organic Frameworks

2021 ◽  
Author(s):  
Lars Öhrström ◽  
Francoise M. Amombo Noa
Keyword(s):  
Metal Organic Frameworks ◽  
Metal Organic

Substrate templated synthesis of single-phase and uniform Zr-porphyrin-based metal–organic frameworks

2020 ◽  
Vol 7 (1) ◽  
pp. 221-231
Author(s):  
Seong Won Hong ◽  
Ju Won Paik ◽  
Dongju Seo ◽  
Jae-Min Oh ◽  
Young Kyu Jeong ◽  
...  
Keyword(s):  
Chemical Bath Deposition ◽  
Single Phase ◽  
Metal Organic Frameworks ◽  
Templated Synthesis ◽  
Pore Structures ◽  
Phase Pure ◽  
Metal Organic ◽  
Cbd Method

We successfully demonstrate that the chemical bath deposition (CBD) method is a versatile method for synthesizing phase-pure and uniform MOFs by controlling their nucleation stages and pore structures.

Sign in / Sign up

Export Citation Format

Share Document