[HTML][HTML] On the shoulders of high-throughput computational screening and machine learning: design and discovery of MOFs for H2 storage and purification
C Altintas, S Keskin - Materials Today Energy, 2023 - Elsevier
Hydrogen (H 2) is a promising energy carrier for achieving net zero carbon emissions. Metal
organic frameworks (MOFs) and covalent organic frameworks (COFs) have emerged as …
organic frameworks (MOFs) and covalent organic frameworks (COFs) have emerged as …
One-step enrichment of phenolics from Chaenomeles speciosa (Sweet) Nakai fruit using macroporous resin: Adsorption/desorption characteristics, process …
Abstract Chaenomeles speciosa (Sweet) Nakai fruit is a good source of phenolics with many
health benefits. In this work, the enrichment of C. speciosa fruit total phenolics (CSFTP) …
health benefits. In this work, the enrichment of C. speciosa fruit total phenolics (CSFTP) …
Revealing the Superior Electrocatalytic Performance of 2D Monolayer WSe2 Transition Metal Dichalcogenide for Efficient H2 Evolution Reaction
H2 evolution reaction (HER) requires an electrocatalyst to reduce the reaction barriers for
the efficient production of H2. 2D transition metal dichalcogenides (2D TMDs) have emerged …
the efficient production of H2. 2D transition metal dichalcogenides (2D TMDs) have emerged …
Lithium decorated 2D orthorhombic (o)-B 2 X 2 monolayers for hydrogen storage: first principles calculations
A Benaddi, A Elomrani, M Lamhani… - Sustainable Energy & …, 2024 - pubs.rsc.org
Over the last few years, scientists and researchers have shown significant interest in the
search for suitable two-dimensional (2D) materials that can store hydrogen efficiently …
search for suitable two-dimensional (2D) materials that can store hydrogen efficiently …
Enhancement of H2 physisorption in covalent organic Framework's linkers by Li-decoration
Our rigorous investigation, employing first principles-based dispersion-corrected density
functional theory (DFT-D) and second-order Møller-Plesset perturbation theory (MP2) …
functional theory (DFT-D) and second-order Møller-Plesset perturbation theory (MP2) …
The ceria–Germania solid oxide hydrogen storage hollow porous nanoparticles
M Motazedian, N Hosseinabadi… - Materials Chemistry and …, 2023 - Elsevier
The combination of high specific surface area and high porosity content as diffusion routes
for adsorption/desorption in monodispersed solid state mixed oxide ceramic nanosized …
for adsorption/desorption in monodispersed solid state mixed oxide ceramic nanosized …
H2 physisorption in fluorinated MOF-74: The role of fluorine from the perspective of electronic structure calculations
Fluorine has been shown to be a promising candidate of H 2 physisorption center. First-
principles calculations reported here provide a fundamental insight into the role of fluorine in …
principles calculations reported here provide a fundamental insight into the role of fluorine in …
Unveiling the Electrocatalytic Activity of Cobaloxime Metallolinker in the UU-100(Co) Metal–Organic Framework toward the H2 Evolution Reaction: A DFT Study
Developing an efficient electrocatalyst for water splitting is one of the leading and
challenging tasks for modern renewable energy technology and sustainable fuels. Recently …
challenging tasks for modern renewable energy technology and sustainable fuels. Recently …
Hydrogen storage property of the Sc decorated aza-triphenylene based covalent organic framework
VM Vasanthakannan, K Senthilkumar - Journal of Power Sources, 2024 - Elsevier
In the present work, we study Sc atoms decorated aza-triphenylene based covalent organic
framework (ScCOF) for hydrogen storage application by using the electronic structure …
framework (ScCOF) for hydrogen storage application by using the electronic structure …
Lithium Intercalation in Covalent Organic Frameworks: A Porous Electrode Material for Lithium-Ion Batteries
Increasing global energy demand urgently requires a sustainable energy storage device.
Lithium-ion battery (LIB) technology has gathered wide attention toward the development of …
Lithium-ion battery (LIB) technology has gathered wide attention toward the development of …