Park, Jongee

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Profile URL
https://hdl.handle.net/20.500.14411/6649
Name Variants
Jongee Park
P.,Jongee
P., Jongee
J.,Park
Park J.
Park, Jongee
Park,J.
J., Park
Park,Jongee
Jongee, Park
Park, J
Job Title
Profesör Doktor
Email Address
jongee.park@atilim.edu.tr
Main Affiliation
Metallurgical and Materials Engineering
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Website
ORCID ID
0000-0003-1415-6906
Scopus Author ID
58155971100
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Google Scholar ID
1CMS4nkAAAAJ
WoS Researcher ID
N-9579-2015

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927

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Ceramics International10
Journal of Nanoscience and Nanotechnology3
Applied Surface Science2
3rd International Conference on NANOCON -- SEP 21-23, 2011 -- Brno, CZECH REPUBLIC2
Advanced Materials Research -- 2012 International Conference on Advances in Materials Science and Engineering, AMSE 2012 -- 9 December 2012 through 10 December 2012 -- Seoul -- 954882
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Subject: Anode

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    Article
    Citation - WoS: 6
    Citation - Scopus: 5
    Computational Analysis of Tic3 as a High-Efficiency Anode for Calcium-Ion Batteries
    (Elsevier, 2024) Park, Jongee; Fatima, Syeda Afrinish
    A comprehensive analysis of the structural, electronic, and thermal properties of TiC3 has been conducted. The calculated thermal expansion coefficient throughout a significant portion of the temperature range leads to a negative value underscoring the material's significance. The carbon-rich polytype of titanium carbide (TiC3) is being proposed for the first time as an anode material for calcium-ion batteries (CIB). The adsorption of Ca2+ ions has been determined to be favorable, with high accommodation of guest atoms and sufficiently rapid ionic mobility. The total volume expansion for a maximum Ca2+ adsorbed TiC3 configuration is calculated to be 8.2 %, which is lower compared to other anode materials for CIBs. Through the calciation of TiC3 up to the highest Ca2+ concentration (Ca7TiC3), an exceptionally high theoretical capacity of 2236 mAh/g has been achieved. Regarding battery rate capability, the lowest diffusion barrier calculated is 0.13 eV, with a remarkably high diffusion coefficient along the corresponding pathway equal to 10-3 cm2/s, indicating the ease of Ca ion movement within the host material. Furthermore, the equilibrium distance (2.5 & Aring;) between our host and guest atoms indicates a robust interaction between them. These findings lay the groundwork for the development of high-performance anode materials for CIBs.