41 citations · 118 across the 25 of their papers we have counts for
25 papers
Essential properties of AlCl4-related graphite intercalation compounds of aluminum-ion-based battery cathodes
Wei-Bang Li, Ming-Hsiu Tsai, Shih-Yang Lin +2
Up to now, many guest atoms/molecules/ions have been successfully synthesized into graphite to form the various compounds. For example, alkali-atom graphite intercalation compounds…
Geometric and electronic properties on stage-1 FeCl3-graphite intercalation compounds
Li Wei-Bang, Lin Shih-Yang, Tsai Ming-Shuei +2
The calculated results of FeCl3 graphite intercalation compounds show the detailed features. The stage-1 FeCl3-graphite intercalation compounds present diversified electronic prope…
Essential electronic properties on stage-1 Li/Li+-graphite-intercalation compounds for different concentrations
Wei-Bang Li, Shih-Yang Lin, Ngoc Thanh Thuy Tran +2
We use first-principles calculation within the density functional theory (DFT) to explore the electronic properties on stage-1 Li- and Li+-graphite-intercalation compounds (GIC) fo…
Diverse fundamental properties in stage-n graphite alkali-intercalation compounds: anode materials of Li+-based batteries
Wei-bang Li, Ngoc Thanh Thuy Tran, Shih-yang Lin +1
The diversified essential properties of the stage-n graphite alkali-intercalation compounds are thoroughly explored by the first-principles calculations. According to their main fe…
Stacking-configuration-enriched essential properties in bilayer silicenes
Hsin-yi Liu, Shih-Yang Lin, Jhao-ying Wu
The geometric, electronic and magnetic properties of silicene-related systems present the diversified phenomena through the first-principles calculations. The critical factors, the…
Enrich properties of Li+-based battery anode: Li_4Ti_5O_12
Thi Dieu Hien Nguyen, Hai Duong Pham, Shih-Yang Lin +1
The 3D ternary Li_4Ti_5O_12, the Li+-based battery anode, presents the unusual lattice symmetry (a triclinic crystal), band structure, charge density, and density of states, under…
Diversified properties of carbon substitutions in silicene
Hai-Duong Pham, Shih-Yang Lin, Godfrey Gumbs +2
The theoretical framework, which is built from the first-principles results, is successfully developed for investigating emergent two-dimensional (2D) materials, as it is clearly i…
Topological characterization of Landau levels for D massless Dirac fermions in D layered systems
C. H. Ho, M. F. Lin
A topological concern is addressed in view of the extensively and intensively studied topological phases of condensed matter. In this realm, the phases with topological order canno…
Diverse quantization phenomena in layered materials
Chiun-Yan Lin, Thi-Nga Do, Jhao-Ying Wu +4
The diverse quantization phenomena in 2D condensed-matter systems, being due to a uniform perpendicular magnetic field and the geometry-created lattice symmetries, are the focuses…
Fundamental properties of transition-metals-adsorbed graphene
Ngoc Thanh Thuy Tran, Duy Khanh Nguyen, Shih-Yang Lin +2
The revealing properties of transition metal (T)-doped graphene systems are investigated with the use of the first-principles method. The detailed calculations cover the bond lengt…
Essential properties of Li/Li graphite intercalation compounds
Shih-Yang Lin, Wei-Bang Li, Ngoc Thanh Thuy Tran +3
The essential properties of graphite-based 3D systems are thoroughly investigated by the first-principles method. Such materials cover a simple hexagonal graphite, a Bernal graphit…
Rich Essential Properties of Si-Doped Graphene
Duy Khanh Nguyen, Ngoc Thanh Thuy Tran, Godfrey Gumbs +1
A theoretical framework, which is under the first-principles calculations, is developed to fully explore the dramatic changes of essential properties due to the silicon-atom chemic…
Structure- and adatom-enriched essential properties of graphene nanoribbons
Shih-Yang Lin, Ngoc Thanh Thuy Tran, Ming-Fa Lin
A systematic study is made on geometric, electronic and magnetic properties of one-dimensional graphene nanoribbons using the first-principles calculations. The feature-rich essent…
Fluorination-Enriched Electronic and Magnetic Properties in Graphene Nanoribbons
Duy Khanh Nguyen, Yu-Tsung Lin, Shih-Yang Lin +3
The feature-rich electronic and magnetic properties of fluorine-doped graphene nanoribbons are investigated by the first-principles calculations. They arise from the cooperative or…
Geometric and electronic properties of graphene-related systems: Chemical bondings
Ngoc Thanh Thuy Tran, Shih-Yang Lin, Chiun-Yan Lin +1
This work presents a systematic review of the feature-rich essential properties in graphene-related systems using the first-principles method. The geometric and electronic properti…
Alkali-induced rich properties in graphene nanoribbons: Chemical bonding
Yu-Tsung Lin, Shih-Yang Lin, Yu-Huang Chiu +1
The alkali-adsorbed graphene nanoribbons exhibit the feature-rich electronic and magnetic properties. From the first-principles calculations, there are only few adatom-dominated co…
Feature-rich Geometric and Electronic Properties of Carbon Nanoscrolls
S. L. Chang, C. R. Chiang, S. Y. Lin +1
How to form carbon nanoscrolls with the non-uniform curvatures is worthy of a detailed investigation. The first-principles method is suitable in studying the combined effects due t…
Feature-rich electronic properties of aluminum-doped graphenes
Shih-Yang Lin, Yu-Tsung Lin, Ngoc Thanh Thuy Tran +2
The electronic properties of aluminum-doped graphenes enriched by multi-orbital hybridizations are investigated using first-principles calculations. The feature-rich electronic str…
-bonding-dominated energy gaps in graphene oxides
Ngoc Thanh Thuy Tran, Shih-Yang Lin, Olga E. Glukhova +1
Chemical bondings of graphene oxides with oxygen concentration from 1\% to 50\% are investigated using first-principle calculations. Energy gaps are mainly determined by the compet…
Magnetoelectronic and optical properties of nonuniform graphene nanoribbons
Hsien-Ching Chung, Yu-Tsung Lin, Shih-Yang Lin +3
The electronic and optical properties of nonuniform bilayer graphene nanoribbons are worth investigating as they exhibit rich magnetic quantization. Based on our numerical results,…
Configuration- and concentration-dependent electronic properties of hydrogenated graphene
Hao-Chun Huang, Shih-Yang Lin, Chung-Lin Wu +1
The electronic properties of hydrogenated graphenes are investigated with the first-principles calculations. Geometric structures, energy bands, charge distributions, and density o…
Chemical Bondings Induced Rich Electronic Properties of Oxygen Absorbed Few-layer Graphenes
Ngoc Thanh Thuy Tran, Shih-Yang Lin, Yu-Tsung Lin +1
Electronic properties of graphene oxides enriched by the strong chemical bondings are investigated using first-principle calculations. They are very sensitive to the changes in the…
Substrate-induced structures of bismuth adsorption on graphene: a first principle study
S. Y. Lin, S. L. Chang, H. H. Chen +3
The geometric and electronic properties of Bi-adsorbed monolayer graphene, enriched by the strong effect of substrate, are investigated by first-principles calculations. The six-la…
H-Si bonding-induced unusual electronic properties of silicene: a method to identify hydrogen concentration
Shih-Yang Lin, Shen-Lin Chang, Ngoc Thanh Thuy Tran +2
Hydrogenated silicenes possess peculiar properties owing to the strong H-Si bonds, as revealed by an investigation using first principles calculations. The various charge distribut…