High-aspect-ratio nanostructured hydroxyapatite: towards new functionalities for a classical material
Hydroxyapatite-based materials have been widely used in countless applications, such as
bone regeneration, catalysis, air and water purification or protein separation. Recently, much …
bone regeneration, catalysis, air and water purification or protein separation. Recently, much …
Advanced porous MOF materials and technologies for high-efficiency ppm-level toxic gas separation
S Hu, G Guo, J Zhang, MN Khan, S Xu, F Yang… - Materials Science and …, 2024 - Elsevier
Effective control of toxic gaseous pollutants being emitted into the atmosphere has posed a
critical and urgent challenge to deal with global climate change, protect the environment and …
critical and urgent challenge to deal with global climate change, protect the environment and …
Functional material systems enabled by automated data extraction and machine learning
The development of new functional materials is crucial for addressing global challenges
such as clean energy or the discovery of new drugs and antibiotics. Functional material …
such as clean energy or the discovery of new drugs and antibiotics. Functional material …
A process-level perspective of the impact of molecular force fields on the computational screening of MOFs for carbon capture
The question we pose in this study is to what extent the ranking of metal organic frameworks
(MOFs) for adsorption-based carbon capture, and the selection of top performers identified …
(MOFs) for adsorption-based carbon capture, and the selection of top performers identified …
Metal–Organic Frameworks for Phthalate Capture
Indoor air contamination by phthalate ester (PAE) derivatives has become a significant
concern since traces of PAEs can cause endocrine disruption, among other health issues …
concern since traces of PAEs can cause endocrine disruption, among other health issues …
A New Era of Modeling MOF‐Based Membranes: Cooperation of Theory and Data Science
Membrane‐based separation can offer significant energy savings over conventional
separation methods. Given their highly customizable and porous structures, metal–organic …
separation methods. Given their highly customizable and porous structures, metal–organic …
Challenges in characterizing adsorbents for gas storage and separation
DP Broom - Adsorption, 2024 - Springer
Porous adsorbents, including activated carbons, zeolites, silicas, and newer materials such
as metal–organic frameworks, have been investigated extensively for gas storage and …
as metal–organic frameworks, have been investigated extensively for gas storage and …
Two-dimensional metal-organic frameworks (2D–MOFs) as a carrier for enzyme immobilization: A review on design and bio-applications
In the realm of carriers for enzyme immobilization, the use of MOFs has accelerated owing to
their exceptional porosity and stability. Among these, 2D metal-organic frameworks (2D …
their exceptional porosity and stability. Among these, 2D metal-organic frameworks (2D …
Multiscale computational approaches toward the understanding of materials
Herewith, an overview of the group's collaborative research efforts on the development and
deployment of computational approaches to understand materials and tools at different …
deployment of computational approaches to understand materials and tools at different …
Computation-informed optimization of Ni (PyC) 2 functionalization for noble gas separations
Our objective is to tune a" lead" metal-organic framework, Ni (PyC) 2 (pyridine-4-carboxylate
[PyC]), by functionalizing its PyC ligands to maximize its adsorptive selectivity for xenon over …
[PyC]), by functionalizing its PyC ligands to maximize its adsorptive selectivity for xenon over …