All Stories

  1. Microscopic contributions to the deviation from Amontons friction law
  2. Suitable boron-doped graphene substrate for glucose Raman signal enhancement
  3. Superlubricity of Borophene: Tribological Properties in Comparison to hBN
  4. Engineering defect clustering in diamond-based materials for technological applications via quantum mechanical descriptors
  5. Author Correction: Face-centered cubic carbon as a fourth basic carbon allotrope with properties of intrinsic semiconductors and ultra-wide bandgap
  6. Design rules for doped transition metal dichalcogenides heterostructures
  7. Bismuth oxyiodide as a highly efficient room temperature NOx gas sensor: Role of surface orientations on sensing performance
  8. Normal Dynamics: Molecular Dynamics in the reciprocal space
  9. Face-centered cubic carbon as a fourth basic carbon allotrope with properties of intrinsic semiconductors and ultra-wide bandgap
  10. Formation of ethane by activation of methane on B, N co-doped graphene surface decorated by Ir13 cluster: A first principle study
  11. Charge-induced ultralow friction between graphite and atomically flat surfaces
  12. First-principles guidelines to select promising van der Waals materials for hybrid photovoltaic–triboelectric nanogenerators
  13. First principles study of photocatalytic activity in ZnO-Janus van der Waals heterostructures
  14. Charge-induced ultralow friction
  15. A first principles study of structural and optoelectronic properties and photocatalytic performance of GeC–MX2 (M = Mo and W; X = S and Se) van der Waals heterostructures
  16. Phototribology: Control of Friction by Light
  17. Effect of Noninteracting Intercalants on Layer Exfoliation in Transition-Metal Dichalcogenides
  18. Fine control of lattice thermal conductivity in low-dimensional materials
  19. Effect of electric fields in low-dimensional materials: Nanofrictional response as a case study
  20. Control of energy dissipation in sliding low-dimensional materials
  21. Viewpoint: Atomic-Scale Design Protocols toward Energy, Electronic, Catalysis, and Sensing Applications
  22. Atomic-scale design of friction and energy dissipation
  23. Phonon–phonon scattering selection rules and control: an application to nanofriction and thermal transport
  24. Modeling and simulation in tribology across scales: An overview
  25. Electronic structure of negative charge transfer CaFeO3 across the metal-insulator transition
  26. Overcoming nanoscale friction barriers in transition metal dichalcogenides
  27. Outstanding Reviewers for Physical Chemistry Chemical Physics in 2016
  28. Vibrational contributions to intrinsic friction in charged transition metal dichalcogenides
  29. Electronic doping of transition metal oxide perovskites
  30. Layering effects on low frequency modes in n-layered MX2 transition metal dichalcogenides
  31. Microscopic interactions governing phase matchability in nonlinear optical materials
  32. Ferroelectricity from coupled cooperative Jahn-Teller distortions and octahedral rotations in ordered Ruddlesden-Popper manganates
  33. Tailoring Nanoscale Friction in MX2 Transition Metal Dichalcogenides
  34. Electro-vibrational coupling effects on “intrinsic friction” in transition metal dichalcogenides
  35. Microscopic Origins of Optical Second Harmonic Generation in Noncentrosymmetric–Nonpolar Materials
  36. Covalent dependence of octahedral rotations in orthorhombic perovskite oxides
  37. Inductive crystal field control in layered metal oxides with correlated electrons
  38. Contributions of Correlated Acentric Atomic Displacements to the Nonlinear Second Harmonic Generation and Response
  39. Octahedral engineering of orbital polarizations in charge transfer oxides
  40. Spin-assisted covalent bond mechanism in “charge-ordering” perovskite oxides
  41. Y:BaZrO3 Perovskite Compounds I: DFT Study on the Unprotonated and Protonated Local Structures
  42. Y:BaZrO3 Perovskite Compounds II: Designing Protonic Conduction by using MD Models
  43. Cation Environment of BaCeO3−Based Protonic Conductors II: New Computational Models
  44. Cation Environment of BaCeO3-Based Protonic Conductors: A Computational Study