Machine learning accelerates the investigation of targeted MOFs: performance prediction, rational design and intelligent synthesis
Metal-organic frameworks (MOFs) are a new class of nanoporous materials that are widely
used in various emerging fields due to their large specific surface area, high porosity and …
used in various emerging fields due to their large specific surface area, high porosity and …
Targeted metal–organic framework discovery goes digital: machine learning's quest from algorithms to atom arrangements
The integration of metal nodes with organic linkers in structured architectures offers the
prospect of creating an extensive array of metal–organic frameworks (MOFs). Although this …
prospect of creating an extensive array of metal–organic frameworks (MOFs). Although this …
A novel cerium organic network modified graphene oxide prepared multifunctional waterborne epoxy-based coating with excellent mechanical and passive/active anti …
Effectively reducing microdefects and endowing coatings with active protection are critical
factors in prolonging the service life of coatings. Herein, a novel ceria nanoparticle …
factors in prolonging the service life of coatings. Herein, a novel ceria nanoparticle …
Combined electrochemical, DFT/MD-simulation and hybrid machine learning based on ANN-ANFIS models for prediction of doxorubicin drug as corrosion inhibitor for …
FE Abeng, VC Anadebe - Computational and Theoretical Chemistry, 2023 - Elsevier
In this work, Doxorubicin drug was used as mild steel corrosion inhibitor in 0.5 MH 2 SO 4
solution. Herein, standard techniques like gravimetric, electrochemical measurement …
solution. Herein, standard techniques like gravimetric, electrochemical measurement …
Facile synthesis of FeNi alloy-supported N-doped Mo2C hollow nanospheres for the oxygen evolution reaction
K Huang, L Hao, Y Liu, M Su, Y Gao, Y Zhang - Journal of Colloid and …, 2024 - Elsevier
The rapid depletion of fossil fuels results in significant environmental pollution.
Consequently, researching environmentally friendly and cost-effective electrocatalysts with …
Consequently, researching environmentally friendly and cost-effective electrocatalysts with …
Synergistic experimental and computational approaches for evaluating pyrazole Schiff bases as corrosion inhibitor for mild steel in acidic medium
In this investigation, the efficiency of a pyrazole Schiff base as a corrosion inhibitor for mild
steel in an acidic setting (1 M HCl) was examined. Several tests, including electrochemical …
steel in an acidic setting (1 M HCl) was examined. Several tests, including electrochemical …
In-depth experimental assessment of two new aminocoumarin derivatives as corrosion inhibitors for carbon steel in HCl media combined with AFM, SEM/EDX, contact …
NS Abdelshafi, AA Farag, FET Heakal… - Journal of Molecular …, 2024 - Elsevier
The suitability of the two synthesized hydrazones namely N''-[(4-aminocoumarin-3-yl)
methylidene] thiocarbonohydrazide (AMT), and 2-[(4-Aminocoumarin-3-yl) methylidene] …
methylidene] thiocarbonohydrazide (AMT), and 2-[(4-Aminocoumarin-3-yl) methylidene] …
Combined electrochemical, atomic scale-DFT and MD simulation of Nickel based metal organic framework (Ni-MOF) as corrosion inhibitor for X65 pipeline steel in …
VC Anadebe, VI Chukwuike, KC Nayak… - Materials Chemistry and …, 2024 - Elsevier
Ni-based metal organic framework (Ni-MOF) was synthesized using nickel nitrate
hexahydrate as a central metal cation and 2 methyl imidazole as an organic linker. The …
hexahydrate as a central metal cation and 2 methyl imidazole as an organic linker. The …
Synthesis, Characterization, and Evaluation of Co-MOF Based ZIF-67 for CO2 Corrosion Inhibition of X65 Steel: Insights from Electrochemical Studies and a Machine …
VC Anadebe, VI Chukwuike… - The Journal of …, 2023 - ACS Publications
Co-MOF based metal organic framework was synthesized by reacting a metal ion (cobalt
nitrate hexahydrate) with an organic ligand (2-methylimidazole) via a wet chemical method …
nitrate hexahydrate) with an organic ligand (2-methylimidazole) via a wet chemical method …
[HTML][HTML] Machine learning investigation to predict corrosion inhibition capacity of new amino acid compounds as corrosion inhibitors
This scientific paper aims to investigate the best machine learning (ML) for predicting the
corrosion inhibition efficiency (CIE) value of amino acid compounds. The study applied a …
corrosion inhibition efficiency (CIE) value of amino acid compounds. The study applied a …