Stabilization of alkali metal ions interaction with OH-functionalized graphene via clustering of OH groups - implications in charge storage applications
Само за регистроване кориснике
2016
Аутори
Dobrota, Ana S.Gutić, Sanjin J.
Kalijadis, Ana
Baljozović, Miloš
Mentus, Slavko V.
Skorodumova, Natalia V.
Pašti, Igor A.
Чланак у часопису (Објављена верзија)
Метаподаци
Приказ свих података о документуАпстракт
Graphene synthesized by reduction of graphene oxide, depending on the degree of reduction, retains a certain amount of surface OH groups. Considering the surface OH groups/graphene layer system by means of density functional theory calculations, we evidenced the tendency of OH groups to cluster, resulting in enhanced system stability and no band gap opening. In the oxygen concentration range between 1.8 and 8.47 at%, with the addition of each new OH group, integral binding energy decreases, while differential binding energy shows the boost at even numbers of OH groups. Furthermore, we found that the clustering of OH groups over graphene basal plane plays a crucial role in enhancing the interactions with alkali metals. Namely, if alkali metal atoms interact with individual OH groups only, the interaction leads to an irreversible formation of MOH phase. When alkali atoms interact with clusters containing odd number of OH groups, a reversible transfer of an electron charge from the metal ...atom to the substrate takes place without OH removal. The strength of the interaction in general increases from Li to K. In an experimental investigation of a graphene sample which dominantly contains OH groups, we have shown that the trend in the specific interaction strength reflects to gravimetric capacitances measured in alkali metal chloride solutions. We propose that the charge stored in OH groups which interact with alkali metal cation and the pi electronic system of the graphene basal plane presents the main part of its pseudocapacitance.
Извор:
RSC Advances, 2016, 6, 63, 57910-57919Финансирање / пројекти:
- Литијум-јон батерије и горивне ћелије-истраживање и развој (RS-MESTD-Integrated and Interdisciplinary Research (IIR or III)-45014)
- Swedish Research Links initiative of the Swedish Research Council [348-2012-6196]
- NATO multi-year Science for Peace Project [EAP.SFPP 984925]
DOI: 10.1039/c6ra13509a
ISSN: 2046-2069
WoS: 000378725800017
Scopus: 2-s2.0-84976400567
Колекције
Институција/група
VinčaTY - JOUR AU - Dobrota, Ana S. AU - Gutić, Sanjin J. AU - Kalijadis, Ana AU - Baljozović, Miloš AU - Mentus, Slavko V. AU - Skorodumova, Natalia V. AU - Pašti, Igor A. PY - 2016 UR - https://vinar.vin.bg.ac.rs/handle/123456789/1155 AB - Graphene synthesized by reduction of graphene oxide, depending on the degree of reduction, retains a certain amount of surface OH groups. Considering the surface OH groups/graphene layer system by means of density functional theory calculations, we evidenced the tendency of OH groups to cluster, resulting in enhanced system stability and no band gap opening. In the oxygen concentration range between 1.8 and 8.47 at%, with the addition of each new OH group, integral binding energy decreases, while differential binding energy shows the boost at even numbers of OH groups. Furthermore, we found that the clustering of OH groups over graphene basal plane plays a crucial role in enhancing the interactions with alkali metals. Namely, if alkali metal atoms interact with individual OH groups only, the interaction leads to an irreversible formation of MOH phase. When alkali atoms interact with clusters containing odd number of OH groups, a reversible transfer of an electron charge from the metal atom to the substrate takes place without OH removal. The strength of the interaction in general increases from Li to K. In an experimental investigation of a graphene sample which dominantly contains OH groups, we have shown that the trend in the specific interaction strength reflects to gravimetric capacitances measured in alkali metal chloride solutions. We propose that the charge stored in OH groups which interact with alkali metal cation and the pi electronic system of the graphene basal plane presents the main part of its pseudocapacitance. T2 - RSC Advances T1 - Stabilization of alkali metal ions interaction with OH-functionalized graphene via clustering of OH groups - implications in charge storage applications VL - 6 IS - 63 SP - 57910 EP - 57919 DO - 10.1039/c6ra13509a ER -
@article{ author = "Dobrota, Ana S. and Gutić, Sanjin J. and Kalijadis, Ana and Baljozović, Miloš and Mentus, Slavko V. and Skorodumova, Natalia V. and Pašti, Igor A.", year = "2016", abstract = "Graphene synthesized by reduction of graphene oxide, depending on the degree of reduction, retains a certain amount of surface OH groups. Considering the surface OH groups/graphene layer system by means of density functional theory calculations, we evidenced the tendency of OH groups to cluster, resulting in enhanced system stability and no band gap opening. In the oxygen concentration range between 1.8 and 8.47 at%, with the addition of each new OH group, integral binding energy decreases, while differential binding energy shows the boost at even numbers of OH groups. Furthermore, we found that the clustering of OH groups over graphene basal plane plays a crucial role in enhancing the interactions with alkali metals. Namely, if alkali metal atoms interact with individual OH groups only, the interaction leads to an irreversible formation of MOH phase. When alkali atoms interact with clusters containing odd number of OH groups, a reversible transfer of an electron charge from the metal atom to the substrate takes place without OH removal. The strength of the interaction in general increases from Li to K. In an experimental investigation of a graphene sample which dominantly contains OH groups, we have shown that the trend in the specific interaction strength reflects to gravimetric capacitances measured in alkali metal chloride solutions. We propose that the charge stored in OH groups which interact with alkali metal cation and the pi electronic system of the graphene basal plane presents the main part of its pseudocapacitance.", journal = "RSC Advances", title = "Stabilization of alkali metal ions interaction with OH-functionalized graphene via clustering of OH groups - implications in charge storage applications", volume = "6", number = "63", pages = "57910-57919", doi = "10.1039/c6ra13509a" }
Dobrota, A. S., Gutić, S. J., Kalijadis, A., Baljozović, M., Mentus, S. V., Skorodumova, N. V.,& Pašti, I. A.. (2016). Stabilization of alkali metal ions interaction with OH-functionalized graphene via clustering of OH groups - implications in charge storage applications. in RSC Advances, 6(63), 57910-57919. https://doi.org/10.1039/c6ra13509a
Dobrota AS, Gutić SJ, Kalijadis A, Baljozović M, Mentus SV, Skorodumova NV, Pašti IA. Stabilization of alkali metal ions interaction with OH-functionalized graphene via clustering of OH groups - implications in charge storage applications. in RSC Advances. 2016;6(63):57910-57919. doi:10.1039/c6ra13509a .
Dobrota, Ana S., Gutić, Sanjin J., Kalijadis, Ana, Baljozović, Miloš, Mentus, Slavko V., Skorodumova, Natalia V., Pašti, Igor A., "Stabilization of alkali metal ions interaction with OH-functionalized graphene via clustering of OH groups - implications in charge storage applications" in RSC Advances, 6, no. 63 (2016):57910-57919, https://doi.org/10.1039/c6ra13509a . .