Understanding battery interfaces by combined characterization and simulation approaches: challenges and perspectives
D Atkins, E Ayerbe, A Benayad… - Advanced Energy …, 2022 - Wiley Online Library
Driven by the continuous search for improving performances, understanding the
phenomena at the electrode/electrolyte interfaces has become an overriding factor for the …
phenomena at the electrode/electrolyte interfaces has become an overriding factor for the …
Applications of high throughput (combinatorial) methodologies to electronic, magnetic, optical, and energy-related materials
High throughput (combinatorial) materials science methodology is a relatively new research
paradigm that offers the promise of rapid and efficient materials screening, optimization, and …
paradigm that offers the promise of rapid and efficient materials screening, optimization, and …
Density functional theory and molecular dynamics simulation study on corrosion inhibition performance of mild steel by mercapto-quinoline Schiff base corrosion …
Corrosion inhibition mechanism of two mercapto-quinoline Schiff bases, eg., 3-
((phenylimino) methyl) quinoline-2-thiol (PMQ) and 3-((5-methylthiazol-2-ylimino) methyl) …
((phenylimino) methyl) quinoline-2-thiol (PMQ) and 3-((5-methylthiazol-2-ylimino) methyl) …
Comprehensive screening of Mg corrosion inhibitors
This work presents the results of a systematic screening for magnesium corrosion inhibitors.
The ability to form stable soluble complexes with Fe ii/iii was considered on first place when …
The ability to form stable soluble complexes with Fe ii/iii was considered on first place when …
Adsorption and corrosion inhibition effect of Schiff base molecules on the mild steel surface in 1 M HCl medium: a combined experimental and theoretical approach
Corrosion inhibition performance of 2-(2-hydroxybenzylideneamino) phenol (L1), 2-(5-
chloro-2-hydroxybenzylideneamino) phenol (L2) and 2-(2-hydroxy-5-nitrobenzylideneamino …
chloro-2-hydroxybenzylideneamino) phenol (L2) and 2-(2-hydroxy-5-nitrobenzylideneamino …
Evaluating electronic structure of quinazolinone and pyrimidinone molecules for its corrosion inhibition effectiveness on target specific mild steel in the acidic medium …
The quantum chemical calculations, based on density functional theory, have been
implemented to explore the corrosion inhibition mechanism and the corresponding inhibition …
implemented to explore the corrosion inhibition mechanism and the corresponding inhibition …
[HTML][HTML] Simplistic correlations between molecular electronic properties and inhibition efficiencies: Do they really exist?
The often used simplistic correlations between molecular electronic parameters and
experimentally determined corrosion inhibition efficiencies are critically evaluated for a set of …
experimentally determined corrosion inhibition efficiencies are critically evaluated for a set of …
[HTML][HTML] Calcium phosphate coatings enhance biocompatibility and degradation resistance of magnesium alloy: Correlating in vitro and in vivo studies
Magnesium (Mg) and its alloys are promising biodegradable materials for orthopedic
applications. However, one of the major problems is their rapid degradation rate with quick …
applications. However, one of the major problems is their rapid degradation rate with quick …
Enhancement of active corrosion protection via combination of inhibitor-loaded nanocontainers
The present work reports the synthesis of layered double hydroxides (LDHs) nanocontainers
loaded with different corrosion inhibitors (vanadate, phosphate, and 2 …
loaded with different corrosion inhibitors (vanadate, phosphate, and 2 …
A theoretical approach to understand the inhibition mechanism of steel corrosion with two aminobenzonitrile inhibitors
In this work, the adsorption behavior and corresponding inhibition mechanism of two
aminobenzonitrile derivatives, eg, 2-aminobenzonitrile (2-AB) and 3-aminobenzonitrile (3 …
aminobenzonitrile derivatives, eg, 2-aminobenzonitrile (2-AB) and 3-aminobenzonitrile (3 …