Theoretical insights into the surface physics and chemistry of redox-active oxides
Redox-active oxides find use in many applications, including catalysts, photovoltaic devices,
self-cleaning glasses, chemical sensors and electronic components. Their utility derives …
self-cleaning glasses, chemical sensors and electronic components. Their utility derives …
Application of high-throughput first-principles calculations in ceramic innovation
Recent technical progress in the industry has led to an urgent requirement on new materials
with enhanced multi-properties. To meet this multi-property requirement, the materials …
with enhanced multi-properties. To meet this multi-property requirement, the materials …
[HTML][HTML] Corrosion inhibitors: physisorbed or chemisorbed?
A Kokalj - Corrosion Science, 2022 - Elsevier
Adsorption mode of corrosion inhibitors is often determined by criteria based on the
standard free energy of adsorption, with values greater than− 20 kJ/mol attributed to …
standard free energy of adsorption, with values greater than− 20 kJ/mol attributed to …
[HTML][HTML] Molecular modeling of organic corrosion inhibitors: Calculations, pitfalls, and conceptualization of molecule–surface bonding
A Kokalj - Corrosion Science, 2021 - Elsevier
Molecular modeling of corrosion inhibitors has gained momentum in the last decade. This
paper describes various approaches, starting with the so-called MEPTIC (Molecular …
paper describes various approaches, starting with the so-called MEPTIC (Molecular …
Atomic scale characterization and surface chemistry of metal modified titanate nanotubes and nanowires
Titanates are salts of polytitanic acid that can be synthesized as nanostructures in a great
variety concerning crystallinity, morphology, size, metal content and surface chemistry …
variety concerning crystallinity, morphology, size, metal content and surface chemistry …
Heavy metal ion removal by thiol functionalized aluminum oxide hydroxide nanowhiskers
Z **a, L Baird, N Zimmerman, M Yeager - Applied Surface Science, 2017 - Elsevier
In this study, we developed a cost effective method of using thiol functionalized γ-aluminum
oxide hydroxide (γ-AlOOH) filters for removing three key heavy metals from water: mercury …
oxide hydroxide (γ-AlOOH) filters for removing three key heavy metals from water: mercury …
The roles of mercapto, benzene, and methyl groups in the corrosion inhibition of imidazoles on copper: II. Inhibitor–copper bonding
Bonding of five imidazole type molecules—imidazole, 1-methyl-imidazole, benzimidazole, 2-
mercapto-1-methyl-imidazole, and 2-mercaptobenzimidazole—with copper surfaces and …
mercapto-1-methyl-imidazole, and 2-mercaptobenzimidazole—with copper surfaces and …
Mechanistic understanding of the aspect ratio-dependent adjuvanticity of engineered aluminum oxyhydroxide nanorods in prophylactic vaccines
Aluminum oxyhydroxide (AlOOH) adjuvants are widely used in human vaccines. However,
the interaction mechanisms at the material-bio interface, and further understandings on …
the interaction mechanisms at the material-bio interface, and further understandings on …
Catalytic proton dynamics at the water/solid interface of ceria-supported Pt clusters
Wet conditions in heterogeneous catalysis can substantially improve the rate of surface
reactions by assisting the diffusion of reaction intermediates between surface reaction sites …
reactions by assisting the diffusion of reaction intermediates between surface reaction sites …
Adsorption of amino acids and peptides on metal and oxide surfaces in water environment: a synthetic and prospective review
Amino acids and peptides are often used as “model” segments of proteins for studying their
behavior in various types of environments, and/or elaborating functional surfaces. Indeed …
behavior in various types of environments, and/or elaborating functional surfaces. Indeed …