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Sundriyal, Shashank,Kaur, Harmeet,Bhardwaj, Sanjeev Kumar,Mishra, Sunita,Kim, Ki-Hyun,Deep, Akash Elsevier 2018 Coordination chemistry reviews Vol.369 No.-
<P><B>Abstract</B></P> <P>Metal-organic frameworks (MOFs) belong to a novel class of materials with several advantages (e.g., ultrahigh porosity, tunable pore size distribution, convenience of synthesis, and structural tailor-ability). However, the insulating nature of MOFs is often recognized as a limiting factor in the extension of their applications, especially in electronic fields. In light of such limitations, various functional or conductive materials have been mixed/intercalated with MOFs to improve their potential for such applications (e.g., rechargeable batteries, optoelectronics, and supercapacitors). Lately, many of these composite materials have been recognized as next-generation electrodes for the development of efficient supercapacitors. In this review article, we have critically reviewed the recent advancements in supercapacitor applications of MOFs and their derived composite structures. Further, we have also discussed the application of various categories of electrolytes (e.g., aqueous, organic, ionic liquids, solid-state, and redox electrolytes) and their impacts on the development of MOF-based supercapacitors.</P> <P><B>Highlights</B></P> <P> <UL> <LI> State of the art information on the applications of MOF-based supercapacitor is explored. </LI> <LI> Recent advances in MOF-based supercapacitor applications have also been discussed. </LI> <LI> The role of electrolytes in the MOF-electrodes for supercapacitors has been discussed. </LI> <LI> Performance of MOF-composites is reviewed in terms of important supercapacitor parameters. </LI> </UL> </P> <P><B>Graphical abstract</B></P> <P>[DISPLAY OMISSION]</P>
Theoretical prediction of thermal and electronic properties of metal-organic frameworks
Harmeet Kaur,Shashank Sundriyal,Virendra Kumar,Amit L. Sharma,김기현,Bo Wang,Akash Deep 한국공업화학회 2019 Journal of Industrial and Engineering Chemistry Vol.80 No.-
Computational studies on metal-organic frameworks (MOFs) have immensely helped researchersoptimize their performance through the prediction and elucidation of different physical/chemicalphenomena. This article discusses the recent advances in the applications of computational methods forthe analysis of electronic and thermal properties of MOFs based on the theoretical calculations of theirproperties like band gap, conductivity, thermal expansion coefficient, heat capacity, thermalconductivity, and entropy. This review article is thus expected to help researchers in related researchareas explore different simulation tools for prediction and verification of MOF-related experimental data.