35 citations · 46 across the 15 of their papers we have counts for
16 papers
Fundamental properties of Alkali-intercalated bilayer graphene nanoribbons
Thi My Duyen Huynh, Guo-Song Hung, Godfreys Gumbs +1
Along with the inherent remarkable properties of graphene, adatom-intercalated graphene-related systems are expected to exhibit tunable electronic properties. The metal-based atoms…
Orbital-hybridization-created optical excitations in Li2GeO3
Vo Khuong Dien, Hai Duong Pham, Ngoc Thanh Thuy Tran +4
Li2GeO3, a ternary electrolyte compound of Li+-based battery, presents the unusual essential properties. The main features are thoroughly explored from the first-principles calcula…
Induced Ferromagnetism in bilayer Hexagonal Boron Nitride (h-BN) on vacancy defects at B and N sites
B. Chettri, P. K. Patra, Tuan V. Vu +6
We investigated the electronic and optical properties of bilayer AB stacked Boron and Nitrogen vacancies in hexagonal Boron Nitride (h-BN) using density functional theory (DFT). Th…
Fundamental Properties of Metal-Adsorbed Silicene: A DFT Study
Ngoc Thanh Thuy Tran, Godfrey Gumbs, Duy Khanh Nguyen +1
Sodium, magnesium and aluminum adatoms, which, respectively, possess one, two and three valence electrons in terms of 3s, , and (, 3p) orbitals, are very suitable for h…
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…
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…
Concentration-Diversified Magnetic and Electronic Properties of Halogen-Adsorbed Silicene
Duy Khanh Nguyen, Ngoc Thanh Thuy Tran, Yu-Huang Chiu +1
Diverse magnetic and electronic properties of halogen-adsorbed silicene are investigated by the first-principles theoretical framework, including the adatom-diversified geometric s…
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…
Diverse Electronic and Magnetic Properties of Chlorination-Related Graphene Nanoribbons
Duy Khanh Nguyen, Ngoc Thanh Thuy Tran, Thanh Tien Nguyen +1
The dramatic changes in electronic and magnetic properties are investigated using the first-principles calculations for (Cl, Br, I, At)-adsorbed graphene nanoribbons. The rich and…
Diversified essential properties in halogenated graphenes
Ngoc Thanh Thuy Tran, Duy Khanh Nguyen, Glukhova O. E. +1
The significant halogenation effects on the essential properties of graphene are investigated by the first-principles method. The geometric structures, electronic properties, and m…
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…
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…
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…