4 citations · 6 across the 6 of their papers we have counts for
12 papers
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…