Duy V. Le

0000-0001-6391-8757

cond-mat.mtrl-scicond-mat.mes-halldensity functional theoryscanning tunneling microscopycharge transfercond-mat.supr-condensity functional calculationsmethanolModels, Chemicaltransition metal dichalcogenides

On Valency

published · living versions

Differentially Private Preconditioned Power Iteration Method for Principal Component Analysis that Adapts to the Coherence

with Ta Duy Nguyen, Alina Ene, Huy L. Nguyen

1 version

W_qc7aphvxv1 · current

Preprints & journals

61 papers in the corpus · 2006–2026

TCDA: Tunable Coded Distributed Arrays for Data Availability Sampling

Duc A. Tran, Dung Truong, Duy Le

0 citations

2610.22508v12026arXiv

Direct Detection of Reactive Intermediates in Photocatalytic Water Splitting with Small Carbon Species on TiO2(100).

Gupta, Aakash, Sherazi, Syeda Faiza, Le, Duy et al.

0 citations

429177552026The journal of physical chemistry letters. 2026;17(40):11532-11538

Explosive nucleation and growth of Pb islands on Ge(111) below room temperature via collective diffusion.

Kim, A R, Baum, E N, Tringides, M C et al.

0 citations

422295022026Journal of physics. Condensed matter : an Institute of Physics journal. 2026;38(26)

Machine learned potential for defected single layer hexagonal boron nitride.

Janisch, John, Le, Duy, Rahman, Talat S

2 citations

419891202026The Journal of chemical physics. 2026;164(15)

Temperature induced metallicity of the Si(001) surface: Insights from molecular dynamics simulations with machine learned interatomic potentials.

Joshi, Sonali, Janisch, John, Le, Duy et al.

1 citation

414676792025The Journal of chemical physics. 2025;163(24)

Temperature Invariant, Nearly Zero Temperature Coefficient of Resistivity in Si-Doped Titanium Nitrides.

Berriel, S Novia, Feit, Corbin, Islam, Md Rafiqul et al.

2 citations

412156502026Advanced materials (Deerfield Beach, Fla.). 2026;38(6):e14483

Monolayer TiS2 Nanosheets on Au(111)-Structural Characterization and Effect of Edge Stability for Shape Control.

Kruse, Niko, Hazeldine, Kerry, Hedevang, Martin et al.

3 citations

407547522026Small (Weinheim an der Bergstrasse, Germany). 2025;21(38):e06023

Ammonium Cation-Promoted CO2 Electroreduction on Au in Acidic Media.

Shi, Kaige, Janisch, John, Ren, Zhuanghe et al.

37 citations

405308572025Journal of the American Chemical Society. 2025;147(26):23277-23285

Evidence of Au(111) topological states in a kagome analogue lattice and their robustness beyond ultra-low temperatures and defect-free conditions.

Austin, Dave, Barragán, Ana, Switzer, Eric D et al.

1 citation

402933402025Nanoscale. 2025;17(19):12087-12093

Role of Spectator Species for Amine-Surface Chemistry: Reactions of Amines and Alkenes on Pt(111).

Brinkmann, Nils, Austin, Dave, Ashraf, Bushra et al.

0 citations

403536852025Journal of the American Chemical Society. 2025;147(20):16964-16971

Unveiling Coverage-Dependent Interactions of N-Methylaniline with the Pt(111) Surface.

Ashraf, Bushra, Brinkmann, Nils, Austin, Dave et al.

3 citations

402017322025The journal of physical chemistry. C, Nanomaterials and interfaces. 2025;129(13):6196-6210

Catalytic reduction of carbon dioxide to methanol over defect-laden hexagonal boron nitride: insights into reaction mechanisms.

Jiang, Tao, Le, Duy, Chagoya, Katerina L et al.

2 citations

399321712025Journal of physics. Condensed matter : an Institute of Physics journal. 2025;37(13)

Breaking Continuously Packed Bimetallic Sites to Singly Dispersed on Nonmetallic Support for Efficient Hydrogen Production.

Jiang, Tao, Li, Yuting, Tang, Yu et al.

12 citations

386326692024ACS applied materials & interfaces. 2024;16(17):21757-21770

An Explicit-Implicit Hybrid Solvent Model for Grand Canonical Simulations of the Electrochemical Environment

Duy Le

7 citations

10.26434/chemrxiv-2023-z2n4n2023ChemRxiv

Evidence of symmetry breaking in a Gd2 di-nuclear molecular polymer.

Ekanayaka, Thilini, Jiang, Tao, Delahaye, Emilie et al.

5 citations

367798152023Physical chemistry chemical physics : PCCP. 2023;25(8):6416-6423

Thickness dependence of superconductivity in FeSe films

Jia Shi, Duy Le, Volodymyr Turkowski et al.

2 citations

2302.09627v12023arXiv

Computational screening of chemically active metal center in coordinated dipyridyl tetrazine network.

Din, Naseem Ud, Le, Duy, Rahman, Talat S

1 citation

367993542023Journal of physics. Condensed matter : an Institute of Physics journal. 2023;35(15)

Electronic structure of cobalt valence tautomeric molecules in different environments.

Mishra, Esha, Ekanayaka, Thilini K, Panagiotakopoulos, Theodoros et al.

5 citations

365978432023Nanoscale. 2023;15(5):2044-2053

Fine-tuned local coordination environment of Pt single atoms on ceria controls catalytic reactivity.

Tan, Wei, Xie, Shaohua, Le, Duy et al.

249 citations

364007912024Nature communications. 2022;13(1):7070

Electron-phonon interaction and ultrafast photoemission from doped monolayer MoS2.

Nayyar, Neha, Le, Duy, Turkowski, Volodymyr et al.

2 citations

362265022022Physical chemistry chemical physics : PCCP. 2022;24(41):25298-25306

Thickness-dependent spin bistable transitions in single-crystalline molecular 2D material

John Koptur-Palenchar, Miguel Gakiya-Teruya, Duy Le et al.

11 citations

2203.10149v12022npj 2D Mater Appl 6, 59 (2022)

Asymmetric Design of Spin-Crossover Complexes to Increase the Volatility for Surface Deposition.

Gakiya-Teruya, Miguel, Jiang, Xuanyuan, Le, Duy et al.

28 citations

344723482021Journal of the American Chemical Society. 2021;143(36):14563-14572

On stabilizing spin crossover molecule [Fe(tBu2qsal)2] on suitable supports: insights fromab initiostudies.

Le, Duy, Jiang, Tao, Gakiya-Teruya, Miguel et al.

2 citations

343422692021Journal of physics. Condensed matter : an Institute of Physics journal. 2021;33(38)

Toward alcohol synthesis from CO hydrogenation on Cu(111)-supported MoS2 - predictions from DFT+KMC.

Rawal, Takat B, Le, Duy, Hooshmand, Zahra et al.

7 citations

342410772021The Journal of chemical physics. 2021;154(17):174701

Fermi surfaces of the topological semimetal CaSn3probed through de Haas van Alphen oscillations.

Siddiquee, K A M Hasan, Munir, Riffat, Dissanayake, Charuni et al.

6 citations

335088122021Journal of physics. Condensed matter : an Institute of Physics journal. 2021;33(17)

Syngas molecules as probes for defects in 2D hexagonal boron nitride: their adsorption and vibrations.

Jiang, Tao, Le, Duy, Rawal, Takat B et al.

12 citations

334751212021Physical chemistry chemical physics : PCCP. 2021;23(13):7988-8001

CO Oxidation Mechanisms on CoOx-Pt Thin Films.

Kersell, Heath, Hooshmand, Zahra, Yan, George et al.

56 citations

322813802020Journal of the American Chemical Society. 2020;142(18):8312-8322

Catalytic C2H2 synthesis via low temperature CO hydrogenation on defect-rich 2D-MoS2 and 2D-MoS2 decorated with Mo clusters.

Young, Brett T, Pathan, Md Afjal Khan, Jiang, Tao et al.

5 citations

320876292020The Journal of chemical physics. 2020;152(7):074706

Correction to "Structural Stability of N-Alkyl-Functionalized Titanium Metal-Organic Frameworks in Aqueous and Humid Environments".

Logan, Matthew W, Adamson, Jeremy D, Le, Duy et al.

1 citation

315321772019ACS applied materials & interfaces. 2019;11(39):36297

Sub-monolayer structures of Ag overlayers on Ge(111): experimental observations and first-principles study

Shree Ram Acharya, Cory H. Mullet, Jason A. Giacomo et al.

0 citations

1908.00180v22019arXiv

Multi-electron Reduction Capacity and Multiple Binding Pockets in Metal-Organic Redox Assembly at Surfaces.

Morris, Tobias W, Huerfano, I J, Wang, Miao et al.

9 citations

307468072019Chemistry (Weinheim an der Bergstrasse, Germany). 2019;25(21):5565-5573

Oxidation States of Binary Oxides from Data Analytics of the Electronic Structure

Sergei Posysaev, Olga Miroshnichenko, Matti Alatalo et al.

39 citations

10.26434/chemrxiv.7234658.v12018ChemRxiv

Redox Isomeric Surface Structures Are Preferred over Odd-Electron Pt1.

Tempas, Christopher D, Skomski, Daniel, Cook, Brian J et al.

8 citations

300285432018Chemistry (Weinheim an der Bergstrasse, Germany). 2018;24(59):15852-15858

Redox-active ligand controlled selectivity of vanadium oxidation on Au(100).

Tempas, Christopher D, Morris, Tobias W, Wisman, David L et al.

27 citations

296752152023Chemical science. 2018;9(6):1674-1685

Structural Stability of N-Alkyl-Functionalized Titanium Metal-Organic Frameworks in Aqueous and Humid Environments.

Logan, Matthew W, Adamson, Jeremy D, Le, Duy et al.

41 citations

291927532018ACS applied materials & interfaces. 2017;9(51):44529-44533

Pt-dipyridyl tetrazine metal-organic network on the Au(100) surface: insights from first principles calculations.

Le, Duy, Rahman, Talat S

4 citations

287957462019Faraday discussions. 2017;204:83-95

MoS2-supported gold nanoparticle for CO hydrogenation.

Rawal, Takat B, Le, Duy, Rahman, Talat S

17 citations

287588982018Journal of physics. Condensed matter : an Institute of Physics journal. 2017;29(41):415201

Adsorbate doping of MoS2 and WSe2: the influence of Na and Co.

Komesu, Takashi, Le, Duy, Tanabe, Iori et al.

19 citations

285306342018Journal of physics. Condensed matter : an Institute of Physics journal. 2017;29(28):285501

Two-Dimensional Folding of Polypeptides into Molecular Nanostructures at Surfaces.

Rauschenbach, Stephan, Rinke, Gordon, Gutzler, Rico et al.

45 citations

281221812019ACS nano. 2017;11(3):2420-2427

Heterogeneous Metal-Free Hydrogenation over Defect-Laden Hexagonal Boron Nitride.

Nash, David J, Restrepo, David T, Parra, Natalia S et al.

64 citations

314572002020ACS omega. 2016;1(6):1343-1354

pH-Induced Surface Modification of Atomically Precise Silver Nanoclusters: An Approach for Tunable Optical and Electronic Properties.

AbdulHalim, Lina G, Hooshmand, Zahra, Parida, Manas R et al.

18 citations

277753342018Inorganic chemistry. 2016;55(21):11522-11528

Disorder effect on the anisotropic resistivity of phosphorene determined by a tight-binding model

Carlos J. P'aez, Kursti DeLello, Duy Le et al.

27 citations

1608.06633v22016Phys. Rev. B 94, 165419 (2016)

The symmetry-resolved electronic structure of 2H-WSe2(0 0 0 1).

Tanabe, Iori, Komesu, Takashi, Le, Duy et al.

14 citations

273622632018Journal of physics. Condensed matter : an Institute of Physics journal. 2016;28(34):345503

Scattering strength of the scatterer inducing variability in graphene on silicon oxide.

Katoch, Jyoti, Le, Duy, Singh, Simranjeet et al.

4 citations

269021812016Journal of physics. Condensed matter : an Institute of Physics journal. 2016;28(11):115301

Spin-orbit coupling in the band structure of monolayer WSe2.

Le, Duy, Barinov, Alexei, Preciado, Edwin et al.

121 citations

258935802015Journal of physics. Condensed matter : an Institute of Physics journal. 2015;27(18):182201

Strength of the dominant scatterer in graphene on silicon oxide

Jyoti Katoch, Duy Le, Simranjeet Singh et al.

1 citation

1502.03043v22015arXiv

Electron-phonon interaction, excitations and ultrafast photoemission from doped monolayer MoS2

Neha Nayyar, Duy Le, Volodymyr Turkowski et al.

5 citations

1501.07908v12015arXiv

Symmetry-resolved surface-derived electronic structure of MoS2(0 0 0 1).

Komesu, Takashi, Le, Duy, Ma, Quan et al.

14 citations

253017822015Journal of physics. Condensed matter : an Institute of Physics journal. 2014;26(45):455501

Segregation of Fischer-Tropsch reactants on cobalt nanoparticle surfaces.

Lewis, E A, Le, D, Jewell, A D et al.

13 citations

248257722015Chemical communications (Cambridge, England). 2014;50(49):6537-9

Postgrowth tuning of the bandgap of single-layer molybdenum disulfide films by sulfur/selenium exchange.

Ma, Quan, Isarraraz, Miguel, Wang, Chen S et al.

123 citations

246844342015ACS nano. 2014;8(5):4672-7

Career total: 135 works. 61 are in this corpus.Showing the 50 most recent.

Profile built from the corpus for this byline.

135

works

3,368

citations

h-index

Corpus papers per year

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Year	Papers
2006	1
2007	0
2008	0
2009	0
2010	0
2011	2
2012	4
2013	4
2014	3
2015	3
2016	5
2017	5
2018	3
2019	3
2020	3
2021	4
2022	3
2023	5
2024	1
2025	9
2026	3