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pro vyhledávání: '"Lim, Thong Leng"'
Publikováno v:
In Surfaces and Interfaces January 2024 44
Akademický článek
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The structural and electronic properties of ternary AlxTiyNiz clusters, where x, y, and z are integers and x + y + z = 6 are investigated. Both SVWN and B3LYP exchange-correlation functionals are employed in a two-stage density functional theory (DFT
Externí odkaz:
http://arxiv.org/abs/1904.03021
Structural and electronic properties of ternary clusters AlkTilNim, where k, l, and m are integers and k + l + m = 4 are investigated. These clusters are generated and studied by performing a two-stage density functional theory (DFT) calculations usi
Externí odkaz:
http://arxiv.org/abs/1810.13343
Autor:
Low, Lay Chen, Chang, Yee Hui Robin, Yong, Yik Seng, Lim, Thong Leng, Yoon, Tiem Leong, Lim, Kian Ming
Publikováno v:
In Materialia June 2022 23
Publikováno v:
In Materials Today Communications March 2022 30
Autor:
Abdullahi, Yusuf Zuntu, Yoon, Tiem Leong, Halim, Mohd Mahadi, Hashim, Md. Roslan, Lim, Thong Leng
We employ first-principles calculations to study the mechanical, geometrical, electronic and magnetic properties of Fe atom embedded s-triazine ($\mathrm{Fe}$@${\mathrm C_6}{\mathrm N_6}$) system under the influence of external environment. Our resul
Externí odkaz:
http://arxiv.org/abs/1703.07128
Autor:
Abdullahi, Yusuf Zuntu, Yoon, Tiem Leong, Halim, Mohd Mahadi, Hashim, Md. Roslan, Lim, Thong Leng, Uebayash, Kazuhiko
The mechanical, structural, electronic and magnetic properties of s-triazine sheet (C6N6) with embedded Mn atom (Mn-C6N6) is investigated under the influence of external environment using density functional theory. Our results show that Mn-C6N6 syste
Externí odkaz:
http://arxiv.org/abs/1703.06466
Autor:
Abdullahi, Yusuf Zuntu, Yoon, Tiem Leong, Halim, Mohd Mahadi, Hashim, Md. Roslan, Lim, Thong Leng
Density-functional theory calculations with spin-polarized generalized gradient approximation and Hubbard $U$ correction is carried out to investigate the mechanical, structural, electronic and magnetic properties of graphitic heptazine with embedded
Externí odkaz:
http://arxiv.org/abs/1703.01922
Autor:
Abdullahi, Yusuf Zuntu, Yoon, Tiem Leong, Halim, Mohd Mahadi, Hashim, Md. Roslan, Lim, Thong Leng
Mechanical and electronic properties of $s$-triazine are studied using first-principles calculations based on density functional theory. The in-plane stiffness and bulk modulus for $s$-triazine sheet are found to be less than that of heptazine. The r
Externí odkaz:
http://arxiv.org/abs/1703.01741