Publications de Rocio Semino Barbaresi

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

Michele Ceriotti, Mehrdad Asgari, Wendy Lee Queen, Olga Trukhina, Pascal Alexander Schouwink, 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

Gas-sieving zeolitic membranes fabricated by condensation of precursor nanosheets

Yu Han, Michele Ceriotti, Kumar Varoon Agrawal, Claudia Esther Avalos, Pascal Alexander Schouwink, Mostapha Dakhchoune, Luis Francisco Villalobos Vazquez de la Parra, Rocio Semino Barbaresi

The synthesis of molecular-sieving zeolitic membranes by the assembly of building blocks, avoiding the hydrothermal treatment, is highly desired to improve reproducibility and scalability. Here we report exfoliation of the sodalite precursor RUB-15 into cr ...

2020

A new kind of atlas of zeolite building blocks

Michele Ceriotti, Benjamin Aaron Helfrecht, Rocio Semino Barbaresi, Giovanni Pireddu

We have analyzed structural motifs in the Deem database of hypothetical zeolites to investigate whether the structural diversity found in this database can be well-represented by classical descriptors, such as distances, angles, and ring sizes, or whether ...

2019

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

Safak Bulut, Michele Ceriotti, Mehrdad Asgari, Wendy Lee Queen, Olga Trukhina, Pascal Alexander Schouwink, Ilia Kochetygov, Shuliang Yang, 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

Enhanced gas separation performance of 6FDA-DAM based mixed matrix membranes by incorporating MOF UiO-66 and its derivatives

Rocio Semino Barbaresi

2018

Revealing the Transient Concentration of CO2 in a Mixed-Matrix Membrane by IR Microimaging and Molecular Modeling

Rocio Semino Barbaresi

Wiley-VCH Verlag GmbH2018