Ab Initio Investigation of O–H Dissociation from the Al–OH2 Complex Using Molecular Dynamics and Neural Network Fitting TH Ho, NN Pham-Tran, Y Kawazoe, HM Le The Journal of Physical Chemistry A 120 (3), 346-355, 2016 | 10 | 2016 |
A new mode of luminescence in lanthanide oxalates metal–organic frameworks RH Alzard, LA Siddig, N Saleh, HL Nguyen, QAT Nguyen, TH Ho, VQ Bui, ... Scientific reports 12 (1), 18812, 2022 | 6 | 2022 |
Bulk Rashba‐Type Spin Splitting in Non‐Centrosymmetric Artificial Superlattices WS Ham, TH Ho, Y Shiota, T Iino, F Ando, T Ikebuchi, Y Kotani, ... Advanced Science 10 (12), 2206800, 2023 | 5 | 2023 |
Dissociation of hydrogen peroxide in water and methanol through a biased molecular dynamics investigation HC Dong, TH Ho, TM Nguyen, Y Kawazoe, HM Le Journal of Computational Chemistry 42 (19), 1344-1353, 2021 | 4 | 2021 |
Effect of Elasticity of the MoS2 Surface on Li Atom Bouncing and Migration: Mechanism from Ab Initio Molecular Dynamic Investigations TH Ho, HC Dong, Y Kawazoe, HM Le The Journal of Physical Chemistry C 121 (2), 1329-1338, 2017 | 4 | 2017 |
The Role of Chloride ion in the Silicate Condensation Reaction from ab Initio Molecular Dynamics Simulations TH Ho, TH Do, HD Tong, EJ Meijer, TT Trinh The Journal of Physical Chemistry B 127 (36), 7748-7757, 2023 | 3 | 2023 |
First-principles study on magnetocrystalline anisotropy of cobalt films: hcp vs fcc TH Ho, D Odkhuu, SH Rhim, SC Hong Current Applied Physics 41, 148-155, 2022 | 3 | 2022 |
Atomistic Observation of the Collision and Migration of Li on the MoSe2 and WS2 Surfaces through Ab Initio Molecular Dynamics T Ho, VQ Bui, TB Phan, Y Kawazoe, HM Le Physical Chemistry Chemical Physics 19 (40), 27332-27342, 2017 | 3 | 2017 |
Differences between surfactant-free Au@ Ag and CTAB-stabilized Au@ Ag star-like nanoparticles in the preparation of nanoarrays to improve their surface-enhanced Raman … S Van Vu, AT Nguyen, ATC Tran, VHT Le, TNH Lo, TH Ho, NNT Pham, ... Nanoscale Advances 5 (20), 5543-5561, 2023 | 2 | 2023 |
Unleashing the power of boron: enhancing nitrogen reduction reaction through defective ReS 2 monolayers TH Ho, VQ Bui, QAT Nguyen, Y Kawazoe, SG Kim, PC Nam Physical Chemistry Chemical Physics 25 (37), 25389-25397, 2023 | 2 | 2023 |
Reaction probability and kinetics of water splitting on the penta-NiAs 2 monolayer from an ab initio molecular dynamics investigation TH Ho, HC Dong, VQ Bui, Y Kawazoe, HM Le Physical Chemistry Chemical Physics 22 (32), 18149-18154, 2020 | 2 | 2020 |
Structural, mechanical, electronic and thermodynamic analysis of calcium aluminum silicate crystalline phases in stone wool insulation materials: A first-principles study TH Ho, NH Hoang, Ø Wilhelmsen, TT Trinh Materials Today Communications 38, 107845, 2024 | 1 | 2024 |
Effect of Co substitution on ferrimagnetic Heusler compound Mn3Ga QAT Nguyen, TH Ho, MH Jung, SH Rhim Current Applied Physics 49, 78-82, 2023 | 1 | 2023 |
Role of quantum well in Pd (111) thin film magnetism TH Ho, SH Rhim, SC Hong Journal of Magnetism and Magnetic Materials 563, 169891, 2022 | 1 | 2022 |
Penetrating Probability and Cross Section of the Li+-C60 Encapsulation Process through an Ab Initio Molecular Dynamics Investigation T Ho, Y Kawazoe, HM Le Physical Chemistry Chemical Physics, 2018 | 1 | 2018 |
Advancing hydrodesulfurization in heavy Oil: Recent developments, challenges, and future prospects DD Pham, TM Nguyen, TH Ho, QV Le, DLT Nguyen Fuel 372, 132082, 2024 | | 2024 |
Janus TiSiZ3H (Z = N, P, As) monolayers with large out-of-plane piezoelectricity and high electron mobility: first-principles study TV Vu, KM Bui, KV Hoang, AI Kartamyshev, HH Thi, AA Lavrentyev, ... Journal of Physics D: Applied Physics, 2024 | | 2024 |
Water adsorption on surfaces of calcium aluminosilicate crystal phase of stone wool: a DFT study TH Ho, NH Hoang, Ø Wilhelmsen, TT Trinh Scientific Reports 14 (1), 9135, 2024 | | 2024 |
Effective Charge Separation in a Dual-Single-Atom Photocatalyst for Sacrificial Agent-Free H2 Evolution M Liang, X Shao, Y Cho, AR Jadhav, Y Hwang, J Lee, MG Kim, Y Hong, ... ACS Sustainable Chemistry & Engineering 12 (16), 6122-6131, 2024 | | 2024 |
P-incorporated CuO/Cu 2 S heteronanorods as efficient electrocatalysts for the glucose oxidation reaction toward highly sensitive and selective glucose sensing LLD Thi, TH Ho, TV Vu, DLT Nguyen, MX Tran, SH Rhim, CD Nguyen Physical Chemistry Chemical Physics 26 (1), 249-260, 2024 | | 2024 |