1 citations · 1 across the 5 of their papers we have counts for
6 papers
A DFT and Machine Learning-Assisted Study on the Lattice Thermal Conductivity of LiCdSb for Thermoelectric Applications
R. Zosiamliana, Lalhriat Zuala, N. T. Tien +3
By using first-principles density functional theory (DFT) and the Boltzmann transport equation, we have calculated the corresponding electronic and thermoelectric properties of LiC…
Efficient molecular dynamics simulation of 2D penta-silicene materials using machine learning potentials
Le Huu Nghia, Pham Thi Bich Thao, Truong Do Anh Kha +2
Machine Learning Interatomic Potentials (MLIPs) are a modern computational method that allows achieving near-quantum mechanical accuracy (DFT) while still describing large-scale sy…
Excitonic Effects in the Optical Spectra of Lithium metasilicate (Li2SiO3)
Nguyen Thi Han, Vo Khuong Dien, Ming-Fa Lin
The Li2SiO3 compound, a ternary electrolyte compound of Lithium-ion based batteries, exhibits unique geometric and band structures, an atom-dominated energy spectrum, charge densit…
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…
Geometric and Electronic Properties of LiGeO
Vo Khuong Dien, Nguyen Thi Han, Thi Dieu Hien Nguyen +3
The 3D ternary LiGeO compound, which could serve as the electrolyte material in Li+-based batteries, exhibits an unusual lattice symmetry (orthorhombic crystal), band struc…
First-principles studies of electronic properties in Lithium metasilicate (Li2SiO3)
Nguyen Thi Han, Vo Khuong Dien, Ngoc Thanh Thuy Tran +3
Lithium metasilicate (Li2SiO3) has attracted considerable interest as a promising electrolyte material for potential use in lithium batteries. However, its electronic properties ar…