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  1. Predicting unmeasured asymmetry time spectra in μSR experiments using Random Forest

    Article • Journal of Magnetism and Magnetic Materials, October 2025, Elsevier

    Dr Tiem Leong Yoon

  2. Aligning experimental μSR spectra with Monte Carlo simulations for probing magnetic properties using the secant method

    Article • Journal of Magnetism and Magnetic Materials, September 2025, Elsevier

    Dr Tiem Leong Yoon

  3. Calcium-atom-modified boron phosphide (BP) biphenylene as an efficient hydrogen storage material

    Article • RSC Advances, January 2024, Royal Society of Chemistry

    Dr Tiem Leong Yoon

  4. New phase of lead chalcogenide alloy: Ternary alloy PbSrSe

    Article • Materialia, April 2022, Elsevier

    Dr Tiem Leong Yoon

  5. Pressure‐induced enhancement of mechanical performance in ZrC system

    Article • International Journal of Quantum Chemistry, February 2022, Wiley

    Dr Tiem Leong Yoon

  6. The effect of vacancy defects on the electromechanical properties of monolayer NiTe2 from first principles calculations

    Article • Physical Chemistry Chemical Physics, January 2022, Royal Society of Chemistry

    Dr Tiem Leong Yoon

  7. Mechanical and optical properties of polymeric nitrogen achieved by compression: DFT study

    Article • Materialia, December 2021, Elsevier

    Dr Tiem Leong Yoon

  8. A first-principles study of two-dimensional NbSe2H/g-ZnO van der Waals heterostructures as a water splitting photocatalyst

    Article • Physical Chemistry Chemical Physics, January 2021, Royal Society of Chemistry

    Dr Tiem Leong Yoon

  9. Metal to semiconductor transition of two-dimensional NbSe2 through hydrogen adsorption: A first-principles study

    Article • Journal of Applied Physics, September 2020, American Institute of Physics

    Dr Tiem Leong Yoon

  10. Effects of oxygen variation on the improved structural stability, electronic and optical properties of ZnTeO compounds

    Article • Journal of Physics Condensed Matter, January 2020, Institute of Physics Publishing

    Dr Tiem Leong Yoon

  11. Strain-tunable electronic and magnetic properties of two-dimensional gallium nitride with vacancy defects

    Article • Journal of Applied Physics, January 2020, American Institute of Physics

    Dr Tiem Leong Yoon

  12. Generation of ground‐state structures and electronic properties of ternary Al x Ti y Ni z cluste...

    Article • International Journal of Quantum Chemistry, October 2019, Wiley

    Dr Tiem Leong Yoon

  13. First-principles study of monolayer Be2C as an anode material for lithium-ion batteries

    Article • Journal of Applied Physics, September 2019, American Institute of Physics

    Dr Khian-Hooi Chew, Dr Tiem Leong Yoon, Duu Sheng Ong

  14. Biogas detection on carbon nitride sheet with embedded Mn atom: dispersion-corrected density functional theory

    Article • Materials Research Express, March 2019, Institute of Physics Publishing

    Dr Tiem Leong Yoon

  15. Frequency dependent linear and nonlinear optical properties of compositionally tuned inorganic CsSnX (X = Br, I) composites

    Article • Journal of Alloys and Compounds, March 2019, Elsevier

    Dr Tiem Leong Yoon

  16. The generation of ground‐state structures and electronic properties of ternary Al k Ti l Ni m cl...

    Article • International Journal of Quantum Chemistry, December 2018, Wiley

    Dr Tiem Leong Yoon

  17. Elastic and electronic properties of C2N monolayer: first-principles calculation

    Article • Materials Research Express, November 2018, Institute of Physics Publishing

    Dr Tiem Leong Yoon

  18. Hydrogen bond sensing ability of CdSe/ZnS colloidal quantum dots in ionic medium

    Article • Materials Research Express, October 2018, Institute of Physics Publishing

    Dr Tiem Leong Yoon, Dr Azlan Abdul Aziz

  19. Selective hydrogen adsorption on a buckled carbon nitride sheet: first-principles calculation

    Article • Materials Research Express, September 2018, Institute of Physics Publishing

    Dr Tiem Leong Yoon

  20. First-principles studies on the superconductivity of aluminene

    Article • Applied Surface Science, July 2018, Elsevier

    Dr Tiem Leong Yoon

  21. Molecular dynamics simulation of melting of silicene

    Article • Materials Research Express, June 2018, Institute of Physics Publishing

    Dr Tiem Leong Yoon

  22. First-principles investigation of graphitic carbon nitride monolayer with embedded Fe atom

    Article • Surface Science, January 2018, Elsevier

    Dr Tiem Leong Yoon

  23. Effects of atoms and molecules adsorption on electronic and magnetic properties of s-triazine with embedded Fe atom: DFT investigations

    Article • The Philosophical Magazine A Journal of Theoretical Experimental and Applied Physics, December 2017, Taylor & Francis

    Dr Tiem Leong Yoon

  24. Studying the varied shapes of gold clusters by an elegant optimization algorithm that hybridizes the density functional tight-binding theory and the density functional theory

    Article • Computer Physics Communications, November 2017, Elsevier

    Dr Tiem Leong Yoon

  25. Effects of Hubbard term correction on the structural parameters and electronic properties of wurtzite ZnO

    Article • Computational Materials Science, October 2017, Elsevier

    Dr Tiem Leong Yoon

  26. Molecular dynamics simulations and photoluminescence measurements of annealed ZnO surfaces

    Article • Physica E Low-dimensional Systems and Nanostructures, June 2017, Elsevier

    Dr Tiem Leong Yoon

  27. Theory of d-Wave High Temperature Superconductivity in the Cuprates Involving Non-linear Lattice Modes

    Article • Journal of Superconductivity and Novel Magnetism, May 2017, Springer Science + Business Media

    Dr Tiem Leong Yoon

  28. Theoretical studies on mechanical and electronic properties of s-triazine sheet

    Article • The Philosophical Magazine A Journal of Theoretical Experimental and Applied Physics, May 2017, Taylor & Francis

    Dr Tiem Leong Yoon, Mohd Mahadi Halim

  29. High-pressure phases of AlxIn1−xN compounds: First principles calculations

    Article • Journal of Alloys and Compounds, May 2017, Elsevier

    Dr Tiem Leong Yoon

  30. Investigation of Melting Dynamics of Hafnium Clusters

    Article • Journal of Chemical Information and Modeling, February 2017, American Chemical Society (ACS)

    Dr Tiem Leong Yoon

  31. Effect of chemical interface damping and aggregation size of bare gold nanoparticles in NaCl on the plasmon resonance damping

    Article • Optical Materials Express, February 2017, Optical Society of America (OSA)

    Dr Azlan Abdul Aziz, Dr Tiem Leong Yoon

  32. Resonance position and extinction efficiency of a single silica coated gold nanoshell when size effects of core is matter

    Article • January 2017, American Institute of Physics

    Dr Azlan Abdul Aziz, Dr Tiem Leong Yoon

  33. First-principles studies on the effects of halogen adsorption on monolayer antimony

    Article • Physical Chemistry Chemical Physics, January 2017, Royal Society of Chemistry

    Dr Tiem Leong Yoon

  34. Thermoelectric and piezoelectric properties of the predicted AlxIn1−xN composites based on ab initio calculations

    Article • Physical Chemistry Chemical Physics, January 2017, Royal Society of Chemistry

    Dr Tiem Leong Yoon

  35. Mechanical and electronic properties of graphitic carbon nitride sheet: First-principles calculations

    Article • Solid State Communications, December 2016, Elsevier

    Dr Tiem Leong Yoon

  36. Structural relaxation of BaTiO3 slab with tetragonal (100) surface: Ab-initio comparison of different thickness

    Article • Current Applied Physics, November 2016, Elsevier

    Dr Tiem Leong Yoon

  37. Ab initio computations of the linear and nonlinear optical properties of stable compounds in AlInN system

    Article • Current Applied Physics, October 2016, Elsevier

    Dr Tiem Leong Yoon

  38. Thorough investigations of the structural and electronic properties of AlxIn1-xN ternary compound via ab initio computations

    Article • Journal of Alloys and Compounds, October 2016, Elsevier

    Dr Tiem Leong Yoon

  39. Geometric and electric properties of graphitic carbon nitride sheet with embedded single manganese atom under bi-axial tensile strain

    Article • Current Applied Physics, August 2016, Elsevier

    Dr Tiem Leong Yoon

  40. Structural and response properties of all BaTiO3 phases from density functional theory using the projector-augmented-wave methods

    Article • Computational Materials Science, May 2016, Elsevier

    Dr Tiem Leong Yoon

  41. AERONET data–based determination of aerosol types

    Article • Atmospheric Pollution Research, July 2015, Elsevier

    Dr. Hwee San Lim, Dr Tiem Leong Yoon

  42. Monsoonal variations in aerosol optical properties and estimation of aerosol optical depth using ground-based meteorological and air quality data in Peninsular Malaysia

    Article • Atmospheric Chemistry and Physics", April 2015, Copernicus GmbH

    Dr Tiem Leong Yoon

  43. Ground-state structures of Hafnium clusters

    Article • January 2015, American Institute of Physics

    Dr Tiem Leong Yoon

  44. Guided basin-hopping search of small boron clusters with density functional theory

    Article • January 2015, American Institute of Physics

    Dr Tiem Leong Yoon

  45. Electronic and magnetic properties of small rhodium clusters

    Article • January 2015, American Institute of Physics

    Dr Tiem Leong Yoon

  46. Growth of bi- and tri-layered graphene on silicon carbide substrate via molecular dynamics simulation

    Article • January 2015, American Institute of Physics

    Dr Tiem Leong Yoon

  47. Influence of force constant on surface phonon polariton properties of cubic ZnS1−xSex crystals

    Article • January 2015, American Institute of Physics

    Dr Tiem Leong Yoon

  48. Melting behaviour of gold-platinum nanoalloy clusters by molecular dynamics simulations

    Article • January 2015, American Institute of Physics

    Dr Tiem Leong Yoon

  49. Molecular dynamics simulation of annealed ZnO surfaces

    Article • January 2015, American Institute of Physics

    Dr Tiem Leong Yoon

  50. Structural properties of small rhodium clusters

    Article • January 2015, American Institute of Physics

    Dr Tiem Leong Yoon

  51. Structures of 38-atom gold-platinum nanoalloy clusters

    Article • January 2015, American Institute of Physics

    Dr Tiem Leong Yoon

  52. Magnetic Moments due to Orbital Currents in an Electron-Lattice Model of Cuprate Superconductors

    Article • Journal of Superconductivity and Novel Magnetism, September 2014, Springer Science + Business Media

    Dr Tiem Leong Yoon

  53. Manipulating API and AOD data to distinguish transportation of aerosol at high altitude in Penang, Malaysia

    Article • IOP Conference Series Earth and Environmental Science, February 2014, Institute of Physics Publishing

    Dr Tiem Leong Yoon

  54. Multiple regression method to determine aerosol optical depth in atmospheric column in Penang, Malaysia

    Article • IOP Conference Series Earth and Environmental Science, February 2014, Institute of Physics Publishing

    Dr Tiem Leong Yoon

  55. Epitaxial growth of graphene on 6H-silicon carbide substrate by simulated annealing method

    Article • The Journal of Chemical Physics, November 2013, American Institute of Physics

    Dr Tiem Leong Yoon

  56. X-ray diffraction experiments, luminescence measurements and first-principles GGA+U calculations on YTaO4

    Article • Computational Materials Science, September 2013, Elsevier

    Dr Tiem Leong Yoon

  57. A molecular dynamics study of the thermodynamic properties of barium zirconate

    Article • Modelling and Simulation in Materials Science and Engineering, March 2013, Institute of Physics Publishing

    Dr Tiem Leong Yoon

  58. Calculation of ground state energy of a “4 × 4” flux qubit Josephson junction array using diffusion quantum Monte Carlo method

    Article • January 2013, American Institute of Physics

    Dr Tiem Leong Yoon

  59. Molecular dynamics study of thermal expansion and isothermal compressibility of strontium titanate and barium zirconate

    Article • January 2013, American Institute of Physics

    Dr Tiem Leong Yoon

  60. Molecular dynamics simulation of thermodynamic and thermal transport properties of strontium titanate with improved potential parameters

    Article • Computational Materials Science, July 2012, Elsevier

    Dr Tiem Leong Yoon

  61. Surface and interface phonon polaritons of wurtzite GaN thin film grown on 6H-SiC substrate

    Article • Applied Physics Letters, June 2009, American Institute of Physics

    Dr Tiem Leong Yoon

  62. Solutions of the atmospheric, solar, and LSND neutrino anomalies from TeV scale quark-lepton unification

    Article • Physical Review D, November 2001, American Physical Society (APS)

    Dr Tiem Leong Yoon

  63. Maximal νμ–ντ oscillations, the see-saw mechanism and the Exact Parity Model

    Article • Physics Letters B, October 2000, Elsevier

    Dr Tiem Leong Yoon