| Insight into the adsorption mechanisms of methylene blue and chromium (III) from aqueous solution onto pomelo fruit peel VP Dinh, HM Le, VD Nguyen, VA Dao, NQ Hung, LA Tuyen, S Lee, J Yi, ... RSC advances 9 (44), 25847-25860, 2019 | 164 | 2019 |
| A first-principles investigation of various gas (CO, H2O, NO, and O2) absorptions on a WS2 monolayer: stability and electronic properties VQ Bui, TT Pham, DA Le, CM Thi, HM Le Journal of Physics: Condensed Matter 27 (30), 305005, 2015 | 119 | 2015 |
| Anion–cation double substitution in transition metal dichalcogenide to accelerate water dissociation kinetic for electrocatalysis NQ Tran, VQ Bui, HM Le, Y Kawazoe, H Lee Advanced Energy Materials 8 (15), 1702139, 2018 | 74 | 2018 |
| Anatase–rutile phase transformation of titanium dioxide bulk material: a DFT+ U approach NH Vu, HV Le, TM Cao, VV Pham, HM Le, D Nguyen-Manh Journal of Physics: Condensed Matter 24 (40), 405501, 2012 | 66 | 2012 |
| Molecular dissociation of hydrogen peroxide (HOOH) on a neural network ab initio potential surface with a new configuration sampling method involving gradient fitting HM Le, S Huynh, LM Raff The Journal of chemical physics 131 (1), 2009 | 56 | 2009 |
| Application of deep eutectic solvent from phenol and choline chloride in electrolyte to improve stability performance in dye-sensitized solar cells PT Nguyen, TDT Nguyen, VS Nguyen, DTX Dang, HM Le, TC Wei, ... Journal of Molecular Liquids 277, 157-162, 2019 | 53 | 2019 |
| An implementation of the Levenberg–Marquardt algorithm for simultaneous-energy-gradient fitting using two-layer feed-forward neural networks HT Nguyen-Truong, HM Le Chemical Physics Letters 629, 40-45, 2015 | 52 | 2015 |
| Cis→ trans, trans→ cis isomerizations and N–O bond dissociation of nitrous acid (HONO) on an ab initio potential surface obtained by novelty sampling and feed-forward neural … HM Le, LM Raff The Journal of chemical physics 128 (19), 2008 | 45 | 2008 |
| Boosting electrocatalytic HER activity of 3D interconnected CoSP via metal doping: active and stable electrocatalysts for pH-universal hydrogen generation VQ Bui, A Kumar, HTD Bui, J Lee, Y Hwang, HM Le, Y Kawazoe, H Lee Chemistry of Materials 32 (22), 9591-9601, 2020 | 39 | 2020 |
| Molecular Dynamics Investigation of the Bimolecular Reaction BeH + H2 → BeH2 + H on an ab Initio Potential-Energy Surface Obtained Using Neural Network … HM Le, LM Raff The Journal of Physical Chemistry A 114 (1), 45-53, 2010 | 36 | 2010 |
| Modified feed-forward neural network structures and combined-function-derivative approximations incorporating exchange symmetry for potential energy surface fitting HTT Nguyen, HM Le The Journal of Physical Chemistry A 116 (18), 4629-4638, 2012 | 35 | 2012 |
| Transition metal (Fe and Cr) adsorptions on buckled and planar silicene monolayers: A density functional theory investigation VQ Bui, TT Pham, HVS Nguyen, HM Le The Journal of Physical Chemistry C 117 (44), 23364-23371, 2013 | 33 | 2013 |
| Zr and Hf-metal-organic frameworks: efficient and recyclable heterogeneous catalysts for the synthesis of 2-arylbenzoxazole via ring open pathway acylation reaction LHT Nguyen, TTT Nguyen, PH Tran, Y Kawazoe, HM Le, TLH Doan Journal of catalysis 374, 110-117, 2019 | 31 | 2019 |
| Migrations of oxygen vacancy in tungsten oxide (WO3): A density functional theory study HM Le, NH Vu, BT Phan Computational materials science 90, 171-176, 2014 | 31 | 2014 |
| Exploration of glassy state in Prussian blue analogues N Ma, R Ohtani, HM Le, SS Sørensen, R Ishikawa, S Kawata, ... Nature communications 13 (1), 4023, 2022 | 26 | 2022 |
| Graphene-Cr-Graphene intercalation nanostructures: stability and magnetic properties from density functional theory investigations VQ Bui, HM Le, Y Kawazoe, D Nguyen-Manh The Journal of Physical Chemistry C 117 (7), 3605-3614, 2013 | 24 | 2013 |
| First-principles modeling of 3d-transition-metal-atom adsorption on silicene: a linear-response DFT+ U approach HM Le, TT Pham, TS Dinh, Y Kawazoe, D Nguyen-Manh Journal of Physics: Condensed Matter 28 (13), 135301, 2016 | 19 | 2016 |
| Hydrogen adsorption engineering by intramolecular proton transfer on 2D nanosheets H Lee, S Bak, Y Cho, M Kim, SH Kang, VQ Bui, HM Le, SW Kim, H Lee NPG Asia Materials 10 (5), 441-454, 2018 | 16 | 2018 |
| Reticular control of interpenetration in a complex metal–organic framework TTM Nguyen, HM Le, Y Kawazoe, HL Nguyen Materials Chemistry Frontiers 2 (11), 2063-2069, 2018 | 16 | 2018 |
| Nanostructures of C60MetalGraphene (Metal = Ti, Cr, Mn, Fe, or Ni): A Spin-Polarized Density Functional Theory Study HM Le, H Hirao, Y Kawazoe, D Nguyen-Manh The Journal of Physical Chemistry C 118 (36), 21057-21065, 2014 | 14 | 2014 |
Hieu T. Nguyen-TruongDNTUVerified email at dntu.edu.vn
