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Information Journal Paper

Title

Investigating the Influence of Doping Graphene with Silicon and Germanium on the Adsorption of Silver (I)

Author(s)

 JALALI SARVESTANI MOHAMMAD REZA | AHMADI ROYA | Issue Writer Certificate 

Pages

  48-59

Abstract

 In this study, the impact of doping Graphene with silicon and germanium on the Ag+e=1&sort=1&ftyp=all&fgrp=all&fyrs=all" target="_blank">Adsorption of Ag+ + was evaluated by Density functional theory for the first time. At the outset, the structures of silver, adsorbents and their derived products at ten different configurations were optimized geometrically. Then, IR and frontier molecular orbital calculations were implemented on them and some important parameters such as Ag+e=1&sort=1&ftyp=all&fgrp=all&fyrs=all" target="_blank">Adsorption energy, Gibbs free energy changes, enthalpy variations, the thermodynamic equilibrium constant, specific heat capacity, chemical hardness, energy gap, and electrophilicity were obtained and inspected. The achieved results indicate that by doping Graphene with silicon and germanium the Ag+e=1&sort=1&ftyp=all&fgrp=all&fyrs=all" target="_blank">Adsorption process has become more spontaneous, exothermic and experimentally feasible. The influence of temperature on the Ag+e=1&sort=1&ftyp=all&fgrp=all&fyrs=all" target="_blank">Adsorption procedure was also checked out and the results indicate that 298. 15 K is the optimum temperature for the desired process at all of the evaluated configurations. The HOMO-LUMO related parameters reveal that the pure and also doped nano-adsorbents are not appropriate sensing material in the construction of conductometric sensors but they can act as an eminent neutral ion carrier in the development of a potentiometric ion selective electrode for determination of silver (I) cations.

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    • Cite

    APA: Copy

    JALALI SARVESTANI, MOHAMMAD REZA, & AHMADI, ROYA. (2019). Investigating the Influence of Doping Graphene with Silicon and Germanium on the Adsorption of Silver (I). JOURNAL OF WATER AND ENVIRONMENTAL NANOTECHNOLOGY, 4(1), 48-59. SID. https://sid.ir/paper/774241/en

    Vancouver: Copy

    JALALI SARVESTANI MOHAMMAD REZA, AHMADI ROYA. Investigating the Influence of Doping Graphene with Silicon and Germanium on the Adsorption of Silver (I). JOURNAL OF WATER AND ENVIRONMENTAL NANOTECHNOLOGY[Internet]. 2019;4(1):48-59. Available from: https://sid.ir/paper/774241/en

    IEEE: Copy

    MOHAMMAD REZA JALALI SARVESTANI, and ROYA AHMADI, “Investigating the Influence of Doping Graphene with Silicon and Germanium on the Adsorption of Silver (I),” JOURNAL OF WATER AND ENVIRONMENTAL NANOTECHNOLOGY, vol. 4, no. 1, pp. 48–59, 2019, [Online]. Available: https://sid.ir/paper/774241/en

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