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Simulation of Atomic Layer Deposition with a Quantum Computer Open
In this work, we present the study of an atomic layer deposition (ALD) of zirconium by means of a quantum computation on an emulator representing the features of an architecture based on qubits implemented on carbon nanotubes. ALD process …
View article: Plasma-based conversion of martian atmosphere into life-sustaining chemicals: The benefits of utilizing martian ambient pressure
Plasma-based conversion of martian atmosphere into life-sustaining chemicals: The benefits of utilizing martian ambient pressure Open
We explored the potential of plasma-based In-Situ Resource Utilization (ISRU) for Mars through the conversion of Martian atmosphere (∼96% CO2, 2% N2, and 2% Ar) into life-sustaining chemicals. As the Martian surface pressure is about 1% of…
NiCoAl-Based Monolithic Catalysts for the N2O Intensified Decomposition: A New Path towards the Microwave-Assisted Catalysis Open
Nitrous oxide (N2O) is considered the primary source of NOx in the atmosphere, and among several abatement processes, catalytic decomposition is the most promising. The thermal energy necessary for this reaction is generally provided from …
Development of Innovative Structured Catalysts for the Catalytic Decomposition of N2O at Low Temperatures Open
Nitrous oxide (N2O), produced from several human activities, is considered a greenhouse gas with significant environmental impacts. The most promising abatement technology consists of the catalytic decomposition of N2O into nitrogen and ox…
Decomposition of N2O over NixCo3-xO4 Catalyst Open
Nitrous oxide (N2O) was recognized as a strong greenhouse gas that can be reduced by applying post-treatment technologies. N2O catalytic decomposition is considered the most attractive method for N2O abatement due to its easy operation and…
Adsorption of N2O Using Fe-13x Zeolites – a Possibility to Make a Process Intensification by Using Microwaves for the Regeneration Step Open
Nitrous oxide is an effective greenhouse gas, which also greatly contributes to the depletion of the stratospheric ozone. Among the most common abatement methods, the capture of N2O by adsorption and the consequent reutilization appears as…
MW-Assisted Regeneration of 13X Zeolites after N2O Adsorption from Concentrated Streams: A Process Intensification Open
N2O has a global warming potential about 300 times higher than CO2, and even if its contribution to the greenhouse effect is underrated, its abatement in industrial production’s tail gas has become imperative. In this work, we investigate …
Main Hydrogen Production Processes: An Overview Open
Due to its characteristics, hydrogen is considered the energy carrier of the future. Its use as a fuel generates reduced pollution, as if burned it almost exclusively produces water vapor. Hydrogen can be produced from numerous sources, bo…
Structure of Metal–Organic Framework Glasses by <i>Ab Initio</i> Molecular Dynamics Open
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Structure of Metal–Organic Framework Glasses by Ab Initio Molecular Dynamics Open
While metal–organic frameworks have been mostly studied in their crystalline form, recent advances have been made on their amorphous phases, both in fundamental understanding and in relation to possible applications. In particular, the zeo…
Structure of Metal–Organic Framework Glasses by Ab Initio Molecular Dynamics Open
While metal–organic frameworks have been mostly studied in their crystalline form, recent advances have been made on their amorphous phases, both in fundamental understanding and in relation to possible applications. In particular, the zeo…
Pt/Re/CeO2 Based Catalysts for CO-Water–Gas Shift Reaction: from Powders to Structured Catalyst Open
This work focuses on the development of a Pt/Re/CeO2-based structured catalyst for a single stage water–gas shift process. In the first part of the work, the activity in water–gas shift reactions was evaluated for three Pt/Re/CeO2-based po…
Gas separation by adsorption: technological drivers and opportunities for improvement Open
Chemical and petrochemical companies are increasingly realizing that their sustainable development critically depends upon development of new innovative processes that use more efficiently materials and energy. As overall separation/purifi…
Melting of Zeolitic Imidazolate Frameworks with Different Topologies: Insight from First-Principles Molecular Dynamics Open
Metal–organic frameworks are chemically versatile materials and are excellent candidates for many applications from carbon capture to drug delivery, through hydrogen storage. While most studies so far focus on the crystalline MOFs, there h…
Melting of zeolitic imidazolate frameworks with different topologies: insight from first-principles molecular dynamics Open
Metal–organic frameworks are chemically versatile materials, and excellent candidates for many applications from carbon capture to drug delivery, through hydrogen storage. While most studies so far focus on the crystalline MOFs, there has …
ELATE: an open-source online application for analysis and visualization of elastic tensors Open
We report on the implementation of a tool for the analysis of second-order elastic stiffness tensors, provided with both an open-source Python module and a standalone online application allowing the visualization of anisotropic mechanical …
CCDC 838373: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …