TY  - JOUR
AU  - Simović, Anđela
AU  - Stevanović, Sanja
AU  - Milovanović, Branislav
AU  - Etinski, Mihajlo
AU  - Bajat, Jelena B.
PY  - 2023
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/5956
AB  - In this work, six groups of non-toxic compounds were tested as inhibitors for mild steel in 1 M HCl solution: glycine (Gly), glutamic acid (Glu), cysteine (Cys), a mixture of three amino acids glycine, glutamic acid, and cysteine (Gly + Glu + Cys); a mixture of dipeptide composed of glycine and glutamic acid with amino acid cysteine (Gly-Glu + Cys); and a tripeptide composed of glycine, cysteine and glutamic acid which is called glutathione (Glt). The inhibition performances of inhibitor systems for steel corrosion were investigated by electrochemical tests (polarization measurements and electrochemical impedance spectroscopy) and surface analyses (atomic force microscopy-AFM, optical microscope, and photoelectron spectroscopy-XPS). Experimental results showed that all six groups of inhibitors affect the reduction of steel corrosion rate, with Glt having the highest efficiency during 4-h immersion (97.3%). Atomic force microscopy and optical microscope showed that the inhibitors are able to protect the metal surface and reduce the extent of corrosion. The existence of the Glt inhibitory film on the steel surface was confirmed by the XPS method. DFT calculations provided useful insights into adsorption of the corrosion inhibitors.
PB  - Springer Science and Business Media Deutschland GmbH
T2  - Journal of Solid State Electrochemistry
T1  - Green corrosion inhibitors of steel based on peptides and their constituents: a combination of experimental and computational approach
DO  - 10.1007/s10008-023-05433-w
ER  - 

@article{
author = "Simović, Anđela and Stevanović, Sanja and Milovanović, Branislav and Etinski, Mihajlo and Bajat, Jelena B.",
year = "2023",
abstract = "In this work, six groups of non-toxic compounds were tested as inhibitors for mild steel in 1 M HCl solution: glycine (Gly), glutamic acid (Glu), cysteine (Cys), a mixture of three amino acids glycine, glutamic acid, and cysteine (Gly + Glu + Cys); a mixture of dipeptide composed of glycine and glutamic acid with amino acid cysteine (Gly-Glu + Cys); and a tripeptide composed of glycine, cysteine and glutamic acid which is called glutathione (Glt). The inhibition performances of inhibitor systems for steel corrosion were investigated by electrochemical tests (polarization measurements and electrochemical impedance spectroscopy) and surface analyses (atomic force microscopy-AFM, optical microscope, and photoelectron spectroscopy-XPS). Experimental results showed that all six groups of inhibitors affect the reduction of steel corrosion rate, with Glt having the highest efficiency during 4-h immersion (97.3%). Atomic force microscopy and optical microscope showed that the inhibitors are able to protect the metal surface and reduce the extent of corrosion. The existence of the Glt inhibitory film on the steel surface was confirmed by the XPS method. DFT calculations provided useful insights into adsorption of the corrosion inhibitors.",
publisher = "Springer Science and Business Media Deutschland GmbH",
journal = "Journal of Solid State Electrochemistry",
title = "Green corrosion inhibitors of steel based on peptides and their constituents: a combination of experimental and computational approach",
doi = "10.1007/s10008-023-05433-w"
}

Simović, A., Stevanović, S., Milovanović, B., Etinski, M.,& Bajat, J. B.. (2023). Green corrosion inhibitors of steel based on peptides and their constituents: a combination of experimental and computational approach. in Journal of Solid State Electrochemistry
Springer Science and Business Media Deutschland GmbH..
https://doi.org/10.1007/s10008-023-05433-w

Simović A, Stevanović S, Milovanović B, Etinski M, Bajat JB. Green corrosion inhibitors of steel based on peptides and their constituents: a combination of experimental and computational approach. in Journal of Solid State Electrochemistry. 2023;.
doi:10.1007/s10008-023-05433-w .

Simović, Anđela, Stevanović, Sanja, Milovanović, Branislav, Etinski, Mihajlo, Bajat, Jelena B., "Green corrosion inhibitors of steel based on peptides and their constituents: a combination of experimental and computational approach" in Journal of Solid State Electrochemistry (2023),
https://doi.org/10.1007/s10008-023-05433-w . .

TY  - JOUR
AU  - Milovanović, Branislav
AU  - Milovanović, Milan
AU  - Veličković, Suzana
AU  - Veljković, Filip M.
AU  - Perić-Grujić, Aleksandra
AU  - Jerosimić, Stanka
PY  - 2019
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4053
AB  - Small heterogeneous potassium-iodide clusters are investigated by means of ab initio electronic structural methods together with experimental production and detection in mass spectrometry. Experiments were done by using Knudsen cell mass spectrometry (KCMS) modification method, which provided simultaneous generating of all KnI0,+1 (n = 2-6) clusters at once. Clusters with more than two potassium atoms are produced for the first time. The lowest lying isomers of those KnI0,+1 (n = 2-6) clusters were found by using a random-kick procedure. The best description of growth of these clusters is the addition of one potassium atom to a smaller-neighbor cluster. Subsequently, stability of these species was examined. In spite of general trend of decreasing of binding energies, the closed-shell species have slightly larger stability with respect to the open-shell species. Alternation of dissociation energies between closed-shell and open-shell clusters is presented. Experimental setup also allows determination of ionization energies of clusters: the obtained values are in the range of 3.46-3.98 eV, which classify these clusters as "superalkali." For closed-shell clusters, the theoretical adiabatic ionization energies are close to experimental values, whereas in the case of open-shell clusters, the vertical ionization energies are those that are close to experimental values.
PB  - Wiley, Hoboken
T2  - International Journal of Quantum Chemistry
T1  - Theoretical and experimental investigation of geometry and stability of small potassium-iodide KnI (n=2-6) clusters
IS  - 22
VL  - 119
DO  - 10.1002/qua.26009
ER  - 

@article{
author = "Milovanović, Branislav and Milovanović, Milan and Veličković, Suzana and Veljković, Filip M. and Perić-Grujić, Aleksandra and Jerosimić, Stanka",
year = "2019",
abstract = "Small heterogeneous potassium-iodide clusters are investigated by means of ab initio electronic structural methods together with experimental production and detection in mass spectrometry. Experiments were done by using Knudsen cell mass spectrometry (KCMS) modification method, which provided simultaneous generating of all KnI0,+1 (n = 2-6) clusters at once. Clusters with more than two potassium atoms are produced for the first time. The lowest lying isomers of those KnI0,+1 (n = 2-6) clusters were found by using a random-kick procedure. The best description of growth of these clusters is the addition of one potassium atom to a smaller-neighbor cluster. Subsequently, stability of these species was examined. In spite of general trend of decreasing of binding energies, the closed-shell species have slightly larger stability with respect to the open-shell species. Alternation of dissociation energies between closed-shell and open-shell clusters is presented. Experimental setup also allows determination of ionization energies of clusters: the obtained values are in the range of 3.46-3.98 eV, which classify these clusters as "superalkali." For closed-shell clusters, the theoretical adiabatic ionization energies are close to experimental values, whereas in the case of open-shell clusters, the vertical ionization energies are those that are close to experimental values.",
publisher = "Wiley, Hoboken",
journal = "International Journal of Quantum Chemistry",
title = "Theoretical and experimental investigation of geometry and stability of small potassium-iodide KnI (n=2-6) clusters",
number = "22",
volume = "119",
doi = "10.1002/qua.26009"
}

Milovanović, B., Milovanović, M., Veličković, S., Veljković, F. M., Perić-Grujić, A.,& Jerosimić, S.. (2019). Theoretical and experimental investigation of geometry and stability of small potassium-iodide KnI (n=2-6) clusters. in International Journal of Quantum Chemistry
Wiley, Hoboken., 119(22).
https://doi.org/10.1002/qua.26009

Milovanović B, Milovanović M, Veličković S, Veljković FM, Perić-Grujić A, Jerosimić S. Theoretical and experimental investigation of geometry and stability of small potassium-iodide KnI (n=2-6) clusters. in International Journal of Quantum Chemistry. 2019;119(22).
doi:10.1002/qua.26009 .

Milovanović, Branislav, Milovanović, Milan, Veličković, Suzana, Veljković, Filip M., Perić-Grujić, Aleksandra, Jerosimić, Stanka, "Theoretical and experimental investigation of geometry and stability of small potassium-iodide KnI (n=2-6) clusters" in International Journal of Quantum Chemistry, 119, no. 22 (2019),
https://doi.org/10.1002/qua.26009 . .