79 citations · 136 across the 12 of their papers we have counts for
14 papers
Hybrid Machine Learning-Assisted Raman Spectroscopy with Generative Feature Augmentation for Pharmaceutical Identification
Quach Thi Thai Binh, Ton Nu Quynh Trang, Thang B. Phan +2
Rapid and reliable identification of pharmaceutical residues is important for safeguarding public health, ensuring food safety, and enabling practical Raman-based screening. In thi…
Anharmonic Phonon Renormalization and Defect Tolerance of the Thermoelectric Power Factor in Monolayer SnSe
Nguyen Tran Gia Bao, Thang Bach Phan, Vu Thi Hanh Thu +1
Monolayer tin selenide (SnSe) exhibits phase-dependent anharmonic lattice dynamics, yet their consequences for the thermoelectric power factor (PF) and point-defect tolerance remai…
Tunable Rashba Splitting in Janus InXPbP (X = S, Se, Te) Monolayers for Enhanced Photocatalytic Water Splitting
Vuong Van Thanh, Nguyen Minh Quan, Nguyen Tuan Hung
Janus two-dimensional (2D) materials exhibiting Rashba spin splitting have recently attracted considerable attention owing to their potential applications in spintronic devices and…
Suppression of Metallic Transport in Nitrogen-rich Two-Dimensional Transition Metal Nitrides
Hongze Gao, Da Zhou, Nguyen Tuan Hung +12
The recent experimental realization of two-dimensional (2D) transition metal nitrides (TMNs, e.g., Mo5N6, δ-MoN, and W5N6) opens new opportunities for exploring their fundamental p…
Point Defects Limited Carrier Mobility in Janus MoSSe monolayer
Nguyen Tran Gia Bao, Ton Nu Quynh Trang, Phan Bach Thang +3
Point defects, often formed during the growth of Janus MoSSe, act as built-in scatterers and affect carrier transport in electronic devices based on Janus MoSSe. In this study, we…
QR-code: An open-source program for double resonance Raman spectra
Jianqi Huang, Renhui Liu, Ye Zhang +4
We present an open-source program, QR-code, that computes double-resonance Raman (DRR) spectra using first-principles calculations. QR-code can calculate not only two-phono…
Strain Effect on Rashba Splitting and Phonon Scattering to Improve Thermoelectric Performance of 2D Heterobilayer MoTe/PtS
Vuong Van Thanh, Nguyen Tuan Hung
Rashba spin-orbit coupling significantly modifies the electronic band structure in two-dimensional (2D) van der Waals (vdW) heterobilayers, which may enhance their thermoelectric (…
Downscaling of non van der Waals Semimetallic W5N6 with Resistivity Preservation
Hongze Gao, Da Zhou, Lu Ping +10
The bulk phase of transition metal nitrides (TMNs) has long been a subject of extensive investigation due to their utility as coating materials, electrocatalysts, and diffusion bar…
Ensemble-Embedding Graph Neural Network for Direct Prediction of Optical Spectra from Crystal Structure
Nguyen Tuan Hung, Ryotaro Okabe, Abhijatmedhi Chotrattanapituk +1
Optical properties in solids, such as refractive index and absorption, hold vast applications ranging from solar panels to sensors, photodetectors, and transparent displays. Howeve…
The role of spin-orbit interaction in low thermal conductivity of MgBi
Nguyen Tuan Hung
Three-dimensional layered MgBi has emerged as thermoelectric material due to its high cooling performance at ambient temperature, which benefits from its low lattice therma…
Precise Fermi-level engineering in a topological Weyl semimetal via fast ion implantation
Manasi Mandal, Abhijatmedhi Chotrattanapituk, Kevin Woller +10
The precise controllability of the Fermi level is a critical aspect of quantum materials. For topological Weyl semimetals, there is a pressing need to fine-tune the Fermi level to…
Deterministic and non-volatile switching of all-van der Waals spin-orbit torque system above room temperature without external magnetic fields
Shivam N. Kajale, Thanh Nguyen, Mingda Li +1
Two-dimensional van der Waals (vdW) magnetic materials hold promise for the development of high-density, energy-efficient spintronic devices for memory and computation. Recent brea…
QERaman: An open-source program for calculating resonance Raman spectra based on Quantum ESPRESSO
Nguyen T. Hung, Jianqi Huang, Yuki Tatsumi +2
We present an open-source program QERaman that computes first-order resonance Raman spectroscopy of materials using the output data from Quantum ESPRESSO. Complex values of Raman t…
Intrinsic strength and failure behaviors of ultra-small single-walled carbon nanotubes
Nguyen Tuan Hung, Do Van Truong, Vuong Van Thanh +1
The intrinsic mechanical strength of single-walled carbon nanotubes (SWNTs) within the diameter range of 0.3-0.8 nm has been studied based on ab initio density functional theory ca…