Simulating Enhanced Methane Deliverable Capacity of Guest Responsive Pores in Intrinsically Flexible MOFs

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A Robust Framework for Generating Adsorption Isotherms to Screen Materials for Carbon Capture

Berend Smit, Elias Moubarak, Susana Garcia Lopez, Seyedmohamad Moosavi

To rank the performanceof materials for a given carbon captureprocess, we rely on pure component isotherms from which we predictthe mixture isotherms. For screening a large number of materials,we also increasingly rely on isotherms predicted from molecular ...

AMER CHEMICAL SOC2023

Zinc carboxylate optimization strategy for extending Al-air battery system's lifetime

Andreas Züttel, Thi Ha My Pham, Liping Zhong, Manhui Wei

Although Al-air batteries are expected to be the candidates for energy conversion systems in renewable energy market due to the higher energy density, richer reserves, and lighter mass of Al metal, the anode self-discharge is seen as a notorious issue that ...

ELSEVIER SCI LTD2023

Molecular simulation on two-dimensional nanoporous material for energy-efficient separation

Mohammad Tohidivahdat

The energy-consumption by the chemical and petrochemical industry in the European Union (EU) accounts for about quarter of its energy footprint. Approximately half of this energy goes toward chemical separation, currently dominated by thermally-driven pro ...

EPFL2023

The design and development of anion exchange membranes for hydrogen fuel cells

Xingyu Wu

Hydrogen fuel cells are an essential component of hydrogen economy, which have been advocated as a major path towards the decarbonization of the energy sector. Within the two main types of low-temperature hydrogen fuel cells, anion-exchange membrane fuel c ...

EPFL2023

Multidimensional Electron Imaging of Catalyst Layer Materials

Robin Pierre Alain Girod

The proton exchange membrane fuel cell (PEMFC) is an important technology for clean power generation in a decarbonized hydrogen system and is notably envisioned for applications in heavy-duty transportation. However, for cost and performance competitivenes ...

EPFL2023

In Situ Monitoring of the Surface Evolution of a Silver Electrode from Polycrystalline to Well-Defined Structures

Yunchang Liang

Capturing the surface-structural dynamics of metal electrocatalysts under certain electrochemical environments is intriguingly desired for understanding the behavior of various metal-based electrocatalysts. However, in situ monitoring of the evolution of a ...

AMER CHEMICAL SOC2022

Dynamic CO2 sorption on MgO-based sorbent in the presence of CO and H2O at elevated pressures

Seongmin Jin, Gina Bang

The presence of gas species other than the target adsorbate in practical conditions causes complications in implementing a sorption-based process because of synergistic or detrimental effects on the sorption mechanism. MgO-based sorbents have attracted mas ...

2022

Development of metal-organic frameworks based on N-heterocyclic ligands

Ilia Kochetygov

Metal-organic frameworks (MOFs) have firmly established in the field of porous materials since their early discovery in the 1990s. With a plethora of applications, these materials offer endless possibilities owing to their tunable, modular nature. The vast ...

EPFL2022

Hydro-processing of biomass using novel metal-organic framework (MOF)/polymer composite catalysts

Vikram Vinayak Karve

Generating value, in the form of functional chemicals, from biomass is a critical need of today. It is expected that replacing petroleum with biomass as the source of many commodity and fine chemicals can lead the transition away from a fossil-fuel based e ...

EPFL2022

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