간행물
Carbon Letters KCI 등재 Carbon letters
- 발행기관 한국탄소학회
- 자료유형 학술지
- 간기 연7회
- ISSN 1976-4251 (Print)2233-4998 (Online)
- 수록기간 2000 ~ 2026
- 주제분류 자연과학 > 자연과학일반 자연과학 분류의 다른 간행물
- 십진분류KDC 530DDC 620
권호리스트/논문검색
Vol.35 No.6 (2025년 12월) 43건
41.
2025.12
구독 인증기관 무료, 개인회원 유료
Poonam Parkar, Ajay Chaudhari
The effect of metal codoping on hydrogen storage has been meticulously studied in small cubic C8 nanocluster within the framework of density functional theory (DFT). Initially, a C8 nanocluster was doped with two Li atoms [ C8(Li)2], achieving a hydrogen uptake of 15.5 wt% with an adsorption energy of 0.16 eV. Although this configuration demonstrates a high hydrogen storage capacity, its thermodynamic stability under ambient conditions is limited due to weak binding interactions between Li and H2 molecules. By introducing metal atoms that have stronger binding with the C8 framework, it is expected to enhance the overall structural stability. For that, we have chosen Na, K, Be, Mg, Ca, Sc, Ti, V, and Cr metal atoms along with Li to investigate the influence of codoping on hydrogen storage characteristics. The Ti- and V-codoped structures exhibited significant distortion of the C8 nanocluster during optimization primarily due to strong charge transfer, steric repulsion arising from the larger atomic radii of Ti and V, and partial bond breaking within the nanocluster framework and were, therefore, excluded from further calculations. The resulting codoped structures—C8LiNa, C8LiK, C8LiBe, C8LiMg, C8LiCa, C8LiSc, and C8LiCr— yielded hydrogen uptake of 16.1 wt%, 14.6 wt%, 11.2 wt%, 13.7 wt%, 12.4 wt%, 9.8 wt%, and 11.5 wt%, respectively, all surpassing the U.S. Department of Energy 2025 target of 5.5 wt%. Among these, the LiCr codoped C8 nanocluster exhibited significantly improved adsorption energies of 0.31 eV, which is within the ideal range of 0.2–0.6 eV for faster adsorption–desorption kinetics. Furthermore, Gibbs free energy corrections to H2 adsorption energy at various temperatures and pressures revealed superior thermodynamic stability of the C8LiCr structure, suggesting its promising potential for practical hydrogen storage applications. These results highlight the significant impact of metal codoping as a powerful strategy for enhancing hydrogen uptake, stability, and overall H2 storage performance in nanostructured materials.
6,000원
42.
2025.12
구독 인증기관 무료, 개인회원 유료
Jae Seo Park, Ki Yun Kim, Line Kim, Gayoung Jung, Ji Yun Kim, Won Hwa Lee, Jea Uk Lee, Seung Jae Yang
Incorporating nanotechnology into cement composites significantly improves mechanical properties such as strength, toughness, and durability. Graphene, with high tensile strength and large surface area, shows great promise as a nanofiller, but its hydrophobicity complicates its dispersion in cement matrices. This study used a graphene-cellulose nanofiber (G@ CNF) hybrid filler to ensure a highly uniform dispersion within the cement microstructure. The hybrid filler acts as a bridge and efficiently fills voids within the matrix. The planar structure of graphene also provides nucleation sites for hydrated products, leading to a denser microstructure. The cement composite containing 0.01 wt.% graphene exhibited a compressive strength of 72.7 MPa, representing a 47.5% improvement over the plain cement. Furthermore, the resulting cement demonstrated enhanced water resistance compared to graphene oxide-reinforced-cement. This approach offers a cost-effective and sustainable way of producing high-strength, durable cement composite.
4,600원
43.
2025.12
구독 인증기관 무료, 개인회원 유료
Joon Ha Moon, Seunghui Lee, Honggyu Seong, Geongil Kim, Youngho Jin, Chaeweon Lee, Byeong Hwi Ahn, June Young Jang, Seung-Ryong Kwon, Jaewon Choi
The high theoretical capacity of transition metal-based compounds makes them promising candidates for lithium-ion battery (LIB) anodes. Among them, iron selenide (FeSe2) has attracted considerable interest because of its excellent electrical conductivity and superior lithium storage capacity. However, pristine FeSe2 suffers from rapid capacity fading and structural instability during repeated cycling. Thus, this study used a facile solvothermal method to synthesize a FeSe2@rGO composite with enhanced structural integrity and electrical conductivity. By incorporating reduced graphene oxide (rGO), the composite demonstrated improved charge transfer kinetics and mechanical robustness. Morphological and structural characterizations were performed using scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), and X-ray photoelectron spectroscopy analyses (XPS), which confirmed the successful formation of the composite and its uniform distribution. Electrochemical properties were evaluated using cyclic voltammetry (CV), galvanostatic charge-discharge, long-term cycling, and electrochemical impedance spectroscopy. The optimized FeSe2@rGO electrode delivered a high reversible capacity of 971.95 mAhg-1 at 500 mAg-1 after 350 cycles. The underlying charge storage mechanism was investigated using scan rate-dependent CV, which revealed a dominant capacitivecontrolled contribution at higher scan rates. The study findings indicate that the FeSe2@rGO composite can serve as a high-performance anode material with excellent cycling stability and rate capability, providing a viable strategy for the development of advanced LIBs.
4,000원
