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Energy of the surface segregation of Ag atoms in Ag–Au alloys in an aqueous solution

10.1016/j.mencom.2020.05.008
Published 2020-04-30
Communication , Volume 30, Issue 3, 288-290
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Doronin S. V. Energy of the surface segregation of Ag atoms in Ag–Au alloys in an aqueous solution // Mendeleev Communications. 2020. Vol. 30. No. 3. pp. 288-290.
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Doronin S. V. Energy of the surface segregation of Ag atoms in Ag–Au alloys in an aqueous solution // Mendeleev Communications. 2020. Vol. 30. No. 3. pp. 288-290.
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TY - JOUR
DO - 10.1016/j.mencom.2020.05.008
UR - https://mendcomm.colab.ws/publications/10.1016/j.mencom.2020.05.008
TI - Energy of the surface segregation of Ag atoms in Ag–Au alloys in an aqueous solution
T2 - Mendeleev Communications
AU - Doronin, Sergey Victorovich
PY - 2020
DA - 2020/04/30
PB - Mendeleev Communications
SP - 288-290
IS - 3
VL - 30
ER -
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@article{2020_Doronin,
author = {Sergey Victorovich Doronin},
title = {Energy of the surface segregation of Ag atoms in Ag–Au alloys in an aqueous solution},
journal = {Mendeleev Communications},
year = {2020},
volume = {30},
publisher = {Mendeleev Communications},
month = {Apr},
url = {https://mendcomm.colab.ws/publications/10.1016/j.mencom.2020.05.008},
number = {3},
pages = {288--290},
doi = {10.1016/j.mencom.2020.05.008}
}
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Doronin, Sergey Victorovich. “Energy of the surface segregation of Ag atoms in Ag–Au alloys in an aqueous solution.” Mendeleev Communications, vol. 30, no. 3, Apr. 2020, pp. 288-290. https://mendcomm.colab.ws/publications/10.1016/j.mencom.2020.05.008.

Keywords

DFT
silver–gold alloy
surface enrichment
surface segregation
water adsorption

Abstract

Segregation energy of Ag atoms in Ag(3%) and Ag(10%) silver–gold alloys is more than two times decreased upon the transition from vacuum to aqueous solutions. The DFT calculations using the (111) face of Au as an example have revealed that the effect of OH radical adsorbed together with H2O molecules on the surface Ag atoms on the segregation energy is comparable to that of a water monolayer. Both experimental and model dependences of the segregation energy and the coverage with Ag on the cluster charge and electrode potential were analyzed.

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