All Stories

  1. Lead Leaching of Perovskite Solar Cells in Aqueous Environments: A Quantitative Investigation
  2. Atomistic insights into dynamic growth of pentacene thin films on metal surfaces functionalized with self-assembled monolayers
  3. Applications of machine learning in computational nanotechnology
  4. High-Throughput Computations of Cross-Plane Thermal Conductivity in Multilayer Stanene
  5. Thermal boundary resistance at graphene-pentacene interface explored by a data-intensive approach
  6. Full-spectrum thermal analysis in twisted bilayer graphene
  7. Improved thermoelectric properties of WS2–WSe2 phononic crystals: insights from first-principles calculations
  8. Enhancement of Interfacial Thermal Transport between Metal and Organic Semiconductor Using Self-Assembled Monolayers with Different Terminal Groups
  9. Colloidal quantum dot hybrids: an emerging class of materials for ambient lighting
  10. Machine learning and artificial neural network accelerated computational discoveries in materials science
  11. Accelerated discoveries of mechanical properties of graphene using machine learning and high-throughput computation
  12. Growth of quantum dot coated core-shell anisotropic nanowires for improved thermal and electronic transport
  13. Machine Learning Enabled Prediction of Mechanical Properties of Tungsten Disulfide Monolayer
  14. Mechanical responses of WSe2 monolayers: a molecular dynamics study
  15. Overview of Computational Simulations in Quantum Dots
  16. Critical fracture properties of puckered and buckled arsenenes by molecular dynamics simulations
  17. Mechanical properties of molybdenum diselenide revealed by molecular dynamics simulation and support vector machine
  18. Water desalination through rim functionalized carbon nanotubes
  19. Molecular interaction balanced one- and two-dimensional hybrid nanoarchitectures for high-performance supercapacitors
  20. Phonon thermal conduction in a graphene–C3N heterobilayer using molecular dynamics simulations
  21. The pH Effect on Thermal Response of Fluorescence Spectroscopy of Graphene Quantum Dots for Nanoscale Thermal Characterization
  22. Significantly Reduced c-axis Thermal Diffusivity of Graphene-based Papers
  23. Thermal transport in phosphorene and phosphorene-based materials: A review on numerical studies
  24. Monolayer and bilayer polyaniline C3N: two-dimensional semiconductors with high thermal conductivity
  25. Phonon thermal transport in a graphene/MoSe2 van der Waals heterobilayer
  26. Machine learning and artificial neural network prediction of interfacial thermal resistance between graphene and hexagonal boron nitride
  27. Tuning thermal conductance of CNT interface junction via stretching and atomic bonding
  28. Energy coupling across low-dimensional contact interfaces at the atomic scale
  29. Phonon thermal transport in silicene-germanene superlattice: a molecular dynamics study
  30. Phonon Thermal Properties of Transition-Metal Dichalcogenides MoS2 and MoSe2 Heterostructure
  31. Overview of Computational Fluid Dynamics Simulation of Reactor-Scale Biomass Pyrolysis
  32. Lateral and flexural phonon thermal transport in graphene and stanene bilayers
  33. Coherent and incoherent phonon transport in a graphene and nitrogenated holey graphene superlattice
  34. Investigation of interfacial thermal transport across graphene and an organic semiconductor using molecular dynamics simulations
  35. Molecular dynamics study of thermal transport in a nitrogenated holey graphene bilayer
  36. Molecular dynamics simulation of the interfacial thermal resistance between phosphorene and silicon substrate
  37. Molecular dynamics study of thermal transport in a dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene (DNTT) organic semiconductor
  38. Understanding thermal transport in asymmetric layer hexagonal boron nitride heterostructure
  39. Molecular dynamics study on thermal transport at carbon nanotube interface junctions: Effects of mechanical force and chemical functionalization
  40. Thermal Conductivity of Monolayer MoSe2 and MoS2
  41. Thermal contact resistance across a linear heterojunction within a hybrid graphene/hexagonal boron nitride sheet
  42. Coupling DAEM and CFD for simulating biomass fast pyrolysis in fluidized beds
  43. Interlayer thermal conductance within a phosphorene and graphene bilayer
  44. Thermal transport across graphene and single layer hexagonal boron nitride
  45. Thermal transport across graphene/SiC interface: effects of atomic bond and crystallinity of substrate
  46. Tuning thermal contact conductance at graphene–copper interfaceviasurface nanoengineering
  47. Thermal transport across atomic-layer material interfaces
  48. Molecular dynamics study of interfacial thermal transport between silicene and substrates
  49. A comprehensive review on the molecular dynamics simulation of the novel thermal properties of graphene
  50. Thermal conductivity of a two-dimensional phosphorene sheet: a comparative study with graphene
  51. Five Orders of Magnitude Reduction in Energy Coupling across Corrugated Graphene/Substrate Interfaces
  52. Co-existing heat currents in opposite directions in graphene nanoribbons
  53. Phase change and stress wave in picosecond laser–material interaction with shock wave formation
  54. Phonon energy inversion in graphene during transient thermal transport
  55. Rough contact is not always bad for interfacial energy coupling
  56. Thermal transport in bent graphenenanoribbons
  57. Dynamic response of graphene to thermal impulse
  58. Micro/Nanoscale Spatial Resolution Temperature Probing for the Interfacial Thermal Characterization of Epitaxial Graphene on 4H-SiC