Publications de Yutao Li | EPFL Graph Search

Unraveling metal effects on CO2 uptake in pyrene-based metal-organic frameworks

Berend Smit, Wendy Lee Queen, Emad Oveisi, Pascal Alexander Schouwink, Jordi Espin Marti, Yutao Li, Elias Moubarak, Miriam Jasmin Pougin, Christopher Patrick Ireland, Andres Adolfo Ortega Guerrero

Pyrene-based metal-organic frameworks (MOFs) have tremendous potential for various applications. With infinite structural possibilities, the MOF community often relies on simulations to identify the most promising candidates for given applications. Among t ...

NATURE PORTFOLIO2025

MOFChecker: a package for validating and correcting metal–organic framework (MOF) structures

Berend Smit, Yutao Li, Elias Moubarak, Kevin Maik Jablonka

MOFChecker, a package for MOF duplicate detection, geometric and charge error checking, and structure correction. ...

Royal Society of Chemistry (RSC)2025

A Refined Set of Universal Force Field Parameters for Some Metal Nodes in Metal-Organic Frameworks

Berend Smit, Yutao Li, Elias Moubarak

Metal-organic frameworks (MOFs) exhibit promise as porous materials for carbon capture due to their design versatility and large pore sizes. The generic force fields (e.g., UFF and Dreiding) use one universal set of Lennard-Jones parameters for each elemen ...

2024

An integrated flexible film as cathode for High-Performance Lithium-Sulfur battery

Kangning Zhao, Yutao Li, Rui Guo, Wen Liu

Poor cycling stability and low volumetric capacity of sulfur cathode prevents practical application of Lithium-sulfur (Li-S) batteries. Herein, we demonstrate a strategy to address the two drawbacks of sulfur cathode by synthesizing a compact and flexible ...

ACADEMIC PRESS INC ELSEVIER SCIENCE2022

Interspace and Vacancy Modulation: Promoting the Zinc Storage of an Alcohol-Based Organic-Inorganic Cathode in a Water-Organic Electrolyte

Kangning Zhao, Yutao Li

Expanding interspace and introducing vacancies are desired to promote the mobility of Zn ions and unlock the inactive sites of layered cathodes. However, this two-point modulation has not yet been achieved simultaneously in vanadium phosphate. Here, a stra ...

Wiley-V C H Verlag Gmbh2022

In situ visualizing the interplay between the separator and potassium dendrite growth by synchrotron X-ray tomography

Kangning Zhao, Yutao Li, Yanan Chen, Chao Yang, Xuchen Wang, Fu Sun

Rechargeable potassium (K) batteries are a promising next-generation technology for low-cost grid scale energy storage applications. Nevertheless, the undesirable interfacial instabilities originating from the interplay between the employed separators and ...

Elsevier2021