All Stories

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