Quantum Chemical Simulation of Reactions Involved in Electrically Enhanced Reduction of Nickel and Copper Nanooxides with Carbon Monoxide
Publication type: Journal Article
Publication date: 2024-10-01
scimago Q4
SJR: 0.244
CiteScore: 2.6
Impact factor: —
ISSN: 19907931, 19907923
Abstract
Quantum chemical calculations of the heats of reduction with carbon monoxide of the simplest electrically neutral or electrically charged oxides and oxides of nickel Ni2O2 and Ni2O, as well as of copper oxides and oxides of Cu2O2 and Cu2O, are performed. The heats of transformation of neutral or charged oxides and oxides of copper into active isomers with an O-radical are also calculated. Based on the calculation results, an explanation is proposed for the experimental results on the change in the rate of reduction of oxidized nickel and copper nanoparticles by carbon monoxide when an electric voltage is applied to them.
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Grishin M. V. et al. Quantum Chemical Simulation of Reactions Involved in Electrically Enhanced Reduction of Nickel and Copper Nanooxides with Carbon Monoxide // Russian Journal of Physical Chemistry B. 2024. Vol. 18. No. 5. pp. 1275-1278.
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Grishin M. V., Gatin A. K., Sarvadii S. Yu., Slutskii V. G., Kharitonov V. A. Quantum Chemical Simulation of Reactions Involved in Electrically Enhanced Reduction of Nickel and Copper Nanooxides with Carbon Monoxide // Russian Journal of Physical Chemistry B. 2024. Vol. 18. No. 5. pp. 1275-1278.
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RIS
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TY - JOUR
DO - 10.1134/s199079312470088x
UR - https://link.springer.com/10.1134/S199079312470088X
TI - Quantum Chemical Simulation of Reactions Involved in Electrically Enhanced Reduction of Nickel and Copper Nanooxides with Carbon Monoxide
T2 - Russian Journal of Physical Chemistry B
AU - Grishin, M V
AU - Gatin, A K
AU - Sarvadii, S Yu
AU - Slutskii, V G
AU - Kharitonov, V A
PY - 2024
DA - 2024/10/01
PB - Pleiades Publishing
SP - 1275-1278
IS - 5
VL - 18
SN - 1990-7931
SN - 1990-7923
ER -
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BibTex (up to 50 authors)
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@article{2024_Grishin,
author = {M V Grishin and A K Gatin and S Yu Sarvadii and V G Slutskii and V A Kharitonov},
title = {Quantum Chemical Simulation of Reactions Involved in Electrically Enhanced Reduction of Nickel and Copper Nanooxides with Carbon Monoxide},
journal = {Russian Journal of Physical Chemistry B},
year = {2024},
volume = {18},
publisher = {Pleiades Publishing},
month = {oct},
url = {https://link.springer.com/10.1134/S199079312470088X},
number = {5},
pages = {1275--1278},
doi = {10.1134/s199079312470088x}
}
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MLA
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Grishin, M. V., et al. “Quantum Chemical Simulation of Reactions Involved in Electrically Enhanced Reduction of Nickel and Copper Nanooxides with Carbon Monoxide.” Russian Journal of Physical Chemistry B, vol. 18, no. 5, Oct. 2024, pp. 1275-1278. https://link.springer.com/10.1134/S199079312470088X.