All Stories

  1. Efficient evaluation of Coulomb interactions in kinetic Monte Carlo simulations of charge transport
  2. Understanding the properties of graphene, one of the new "wonder materials"
  3. Correlation between gate-dielectric morphology at the nanoscale and charge transport properties in organic field-effect transistors
  4. Correlation between atomistic morphology and electron transport properties in defect-free and defected graphene nanoribbons: An interpretation through Clar sextet theory
  5. Atomistic Modeling of Corrosion Resistance: A First Principles Study of O2Reduction on the Al(111) Surface Covered with a Thin Hydroxylated Alumina Film
  6. Molecular doping and gas sensing in Si nanowires: From charge injection to reduced dielectric mismatch
  7. Redox-switchable devices based on functionalized graphene nanoribbons
  8. Towards nano-organic chemistry: perspectives for a bottom-up approach to the synthesis of low-dimensional carbon nanostructures
  9. Functionalization of Multiwalled Carbon Nanotubes with Cyclic Nitrones for Materials and Composites: Addressing the Role of CNT Sidewall Defects
  10. Chapter 8. Theoretical Strategies for Functionalisation and Encapsulation of Nanotubes
  11. Theoretical Investigations on the Healing of Monovacancies in Single-Walled Carbon Nanotubes by Adsorption of Carbon Monoxide
  12. Modeling of low-dimensional carbon nanostructures: an efficient approach based on chemical criteria
  13. Theoretical Investigations of the Relaxation and Reconstruction of the γ-AlO(OH) Boehmite (101) Surface and Boehmite Nanorods
  14. Unraveling the Reactivity of Semiconducting Chiral Carbon Nanotubes through Finite-Length Models Based on Clar Sextet Theory
  15. First-principles investigations on the functionalization of chiral and non-chiral carbon nanotubes by Diels–Alder cycloaddition reactions
  16. Electronic properties and stability of graphene nanoribbons: An interpretation based on Clar sextet theory
  17. Semiempirical calculations on the electronic properties of finite-length models of carbon nanotubes based on Clar sextet theory
  18. Formation, Structure, and Polymorphism of Novel Lowest-Dimensional AgI Nanoaggregates by Encapsulation in Carbon Nanotubes
  19. Theoretical Investigations on the Functionalization of Carbon Nanotubes
  20. Theoretical investigations on the functionalization of carbon nanotubes
  21. Functionalization of Carbon Nanotubes with Vaska's Complex:  A Theoretical Approach
  22. Vacancy-Induced Chemisorption of NO 2 on Carbon Nanotubes:  A Combined Theoretical and Experimental Study
  23. Coordination and Haptotropic Rearrangement of Cr(CO) 3 on ( n ,0) Nanotube Sidewalls:  A Dynamical Density Functional Study
  24. The interaction of Cr(CO)3 on the (n, 0) nanotube side-walls: a density functional study through a cluster model approach
  25. The Coordination Chemistry of Carbon Nanotubes:  a Density Functional Study through a Cluster Model Approach
  26. Formation of a Reactive Intermediate in Molecular Beam Chemistry of Sodium and Water