Publications by Mehrdad Asgari

Densification and shaping of pure Cu-BTC powders using a solid-state chemical transformation

Wendy Lee Queen, Mathieu Soutrenon, Jordi Espin Marti, Mehrdad Asgari, Vikram Vinayak Karve, Alexandre Mabillard

MOFs are a class of porous crystalline materials whose unique properties have led to applicability in several fields ranging from gas adsorption to drug delivery. Despite their high potential, MOFs are usually found as fine powders, a property that can lim ...

Iop Publishing Ltd2024

A data-science approach to predict the heat capacity of nanoporous materials

Berend Smit, Susana Garcia Lopez, Elias Moubarak, Balázs Álmos Novotny, Seyedmohamad Moosavi, Daniele Ongari, Mehrdad Asgari, Andres Adolfo Ortega Guerrero, Özge Kadioglu

The heat capacity of a material is a fundamental property of great practical importance. For example, in a carbon capture process, the heat required to regenerate a solid sorbent is directly related to the heat capacity of the material. However, for most m ...

NATURE PORTFOLIO2022

A Two Step Postsynthetic Modification Strategy: Appending Short Chain Polyamines to Zn-NH2-BDC MOF for Enhanced CO2 Adsorption

Wendy Lee Queen, Jordi Espin Marti, Mehrdad Asgari, Olga Trukhina, Ilia Kochetygov, Anita Justin

Functionalizing metal–organic frameworks (MOFs) with amines is a commonly used strategy to enhance their performance in CO2 capture applications. As such, in this work, a two-step strategy to covalently functionalize NH2-containing MOFs with short chain po ...

2021

A data-driven perspective on the colours of metal-organic frameworks

Berend Smit, Luc Patiny, Seyedmohamad Moosavi, Kevin Maik Jablonka, Mehrdad Asgari, Christopher Patrick Ireland

Colour is at the core of chemistry and has been fascinating humans since ancient times. It is also a key descriptor of optoelectronic properties of materials and is often used to assess the success of a synthesis. However, predicting the colour of a materi ...

2021

Mechanistic Study on Thermally Induced Lattice Stiffening of ZIF-8

Wendy Lee Queen, Kumar Varoon Agrawal, Pascal Alexander Schouwink, Jian Hao, Mehrdad Asgari, Deepu Joseph Babu, Qi Liu

The flexibility of the ZIF-8 aperture, which inhibits a molecular cutoff of 3.4 angstrom, can be reduced by rapid heat treatment to obtain CO2-selective membranes. However, the early stages of the structural, morphological, and chemical changes responsible ...

2021

Understanding How Ligand Functionalization Influences CO2 and N-2 Adsorption in a Sodalite Metal-Organic Framework

Michele Ceriotti, Wendy Lee Queen, Pascal Alexander Schouwink, Mehrdad Asgari, Olga Trukhina, Ilia Kochetygov, Rocio Semino Barbaresi

In this work, a detailed study is conducted to understand how ligand substitution influences the CO, and N-2 adsorption properties of two highly crystalline sodalite metal-organic frameworks (MOFs) known as Cu-BTT (BTT-3 = 1,3,5-benzenetristetrazolate) and ...

AMER CHEMICAL SOC2020

A metal-organic framework/polymer derived catalyst containing single-atom nickel species for electrocatalysis

Wendy Lee Queen, Emad Oveisi, Wen Luo, Daniel Teav Sun, Shuliang Yang, Li Peng, Jie Zhang, Mehrdad Asgari, Olga Trukhina, Dragos-Constantin Stoian, Ilia Kochetygov

While metal-organic frameworks (MOF) alone offer a wide range of structural tunability, the formation of composites, through the introduction of other non-native species, like polymers, can further broaden their structure/property spectrum. Here we demonst ...

ROYAL SOC CHEMISTRY2020

Enhancing MOF performance through the introduction of polymer guests

Wendy Lee Queen, Jordi Espin Marti, Daniel Teav Sun, Shuliang Yang, Li Peng, Mehrdad Asgari, Olga Trukhina, Ilia Kochetygov, Vikram Vinayak Karve, Anita Justin

In this contribution, recent advances in the construction of MOF-polymer composites and their corresponding applications are briefly reviewed. The appearance of such architectures is becoming prominent in recent literature, due to the fact that the union o ...

2020

An In-Situ Neutron Diffraction and DFT Study of Hydrogen Adsorption in a Sodalite-Type Metal-Organic Framework, Cu-BTTri

Michele Ceriotti, Wendy Lee Queen, Shuliang Yang, Mehrdad Asgari, Olga Trukhina, Safak Bulut, Ilia Kochetygov, Rocio Semino Barbaresi

Herein we present a detailed study of the hydrogen adsorption properties of Cu‐BTTri, a robust crystalline metal–organic framework containing open metal‐coordination sites. Diffraction techniques, carried out on the activated framework, reveal a structure ...

2019

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