All Stories

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